Cas no 926204-43-5 (N-(3-Methylbutan-2-yl)cyclopropanamine)

N-(3-Methylbutan-2-yl)cyclopropanamine is a chiral amine compound featuring a cyclopropylamine moiety attached to a branched alkyl chain. This structure imparts unique steric and electronic properties, making it a valuable intermediate in organic synthesis and pharmaceutical applications. The cyclopropyl group enhances rigidity, potentially improving binding affinity in bioactive molecules, while the branched alkyl chain may influence solubility and metabolic stability. Its stereochemistry also offers opportunities for enantioselective synthesis. This compound is suitable for use in the development of pharmacologically active agents, agrochemicals, or as a ligand in catalytic systems. Proper handling under inert conditions is recommended due to potential sensitivity to air or moisture.
N-(3-Methylbutan-2-yl)cyclopropanamine structure
926204-43-5 structure
Product Name:N-(3-Methylbutan-2-yl)cyclopropanamine
CAS No:926204-43-5
MF:C8H17N
MW:127.22728228569
MDL:MFCD09044869
CID:1024262
PubChem ID:16772546
Update Time:2025-06-15

N-(3-Methylbutan-2-yl)cyclopropanamine Chemical and Physical Properties

Names and Identifiers

    • N-(3-Methylbutan-2-yl)cyclopropanamine
    • N-(1,2-DIMETHYLPROPYL)CYCLOPROPANAMINE
    • N-(3-Methylbutan-2-yl)cyclopropamine
    • AKOS000129072
    • BS-29816
    • SCHEMBL13242284
    • MFCD09044869
    • EN300-57716
    • 926204-43-5
    • AKOS016843058
    • DTXSID80588215
    • MDL: MFCD09044869
    • Inchi: 1S/C8H17N/c1-6(2)7(3)9-8-4-5-8/h6-9H,4-5H2,1-3H3
    • InChI Key: NMZNLAPAPRESJL-UHFFFAOYSA-N
    • SMILES: N(C(C)C(C)C)C1CC1

Computed Properties

  • Exact Mass: 127.136099547g/mol
  • Monoisotopic Mass: 127.136099547g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 84.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • Density: 0.8±0.1 g/cm3
  • Boiling Point: 145.1±8.0 °C at 760 mmHg
  • Flash Point: 26.1±15.8 °C
  • Vapor Pressure: 4.9±0.3 mmHg at 25°C

N-(3-Methylbutan-2-yl)cyclopropanamine Security Information

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N-(3-Methylbutan-2-yl)cyclopropanamine Related Literature

Additional information on N-(3-Methylbutan-2-yl)cyclopropanamine

Introduction to N-(3-Methylbutan-2-yl)cyclopropanamine (CAS No. 926204-43-5)

N-(3-Methylbutan-2-yl)cyclopropanamine, a compound with the chemical formula C?H??N, is a significant molecule in the field of pharmaceutical chemistry and bioorganic synthesis. This compound, identified by its CAS number 926204-43-5, has garnered attention due to its unique structural properties and potential applications in drug development. The presence of a cyclopropane ring and an N-substituted aliphatic chain makes it a versatile intermediate for various synthetic pathways.

The structural motif of N-(3-Methylbutan-2-yl)cyclopropanamine includes a cyclopropane ring, which is known for its high ring strain and reactivity. This characteristic allows the compound to participate in various chemical transformations, making it valuable in synthetic organic chemistry. Additionally, the N-substituent at the 2-position of the 3-methylbutyl chain introduces a nitrogen atom that can engage in hydrogen bonding or coordinate with metal centers, further enhancing its utility in medicinal chemistry.

In recent years, there has been a growing interest in cyclopropane-containing compounds due to their biological activity. Research has demonstrated that cyclopropane rings can enhance the binding affinity of molecules to biological targets, making them attractive for drug design. N-(3-Methylbutan-2-yl)cyclopropanamine, with its cyclopropane core, represents a promising scaffold for developing novel therapeutic agents.

One of the most compelling aspects of N-(3-Methylbutan-2-yl)cyclopropanamine is its potential role as a building block in the synthesis of more complex molecules. The compound's reactivity allows for facile functionalization at multiple sites, enabling chemists to construct intricate structures with precision. This property is particularly valuable in the context of drug discovery, where the ability to modify molecular architecture is crucial for optimizing pharmacological properties.

Recent studies have explored the use of N-(3-Methylbutan-2-yl)cyclopropanamine in the development of bioactive molecules. For instance, researchers have investigated its incorporation into peptidomimetics and small-molecule inhibitors. These studies highlight the compound's versatility and its potential to contribute to the discovery of new drugs targeting various diseases.

The synthesis of N-(3-Methylbutan-2-yl)cyclopropanamine involves several key steps that showcase modern organic synthesis techniques. The introduction of the cyclopropane ring can be achieved through ring-closing metathesis (RCM) or other cycloaddition reactions. The subsequent functionalization of the 3-methylbutyl chain and the nitrogen atom provides opportunities for further diversification. These synthetic strategies underscore the compound's importance as a synthetic intermediate.

In addition to its synthetic utility, N-(3-Methylbutan-2-yl)cyclopropanamine has shown promise in preclinical studies as a lead compound for drug development. Its unique structural features make it an attractive candidate for further investigation into potential therapeutic applications. Researchers are exploring its interactions with biological targets such as enzymes and receptors, which could lead to novel treatments for various conditions.

The pharmaceutical industry continues to seek innovative compounds that can address unmet medical needs. N-(3-Methylbutan-2-yl)cyclopropanamine, with its distinctive chemical profile, stands out as a compound worthy of further exploration. Its potential applications in drug discovery and synthetic chemistry make it a valuable asset in the quest for new therapeutic agents.

As research progresses, it is expected that more insights into the biological activity and synthetic utility of N-(3-Methylbutan-2-yl)cyclopropanamine will emerge. The continued investigation of this compound will likely contribute to advancements in medicinal chemistry and provide new opportunities for therapeutic intervention. The intersection of organic synthesis and pharmacology will remain a fertile ground for innovation, with compounds like N-(3-Methylbutan-2-yl)cyclopropanamine playing a pivotal role.

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