Cas no 2287312-09-6 (3-Butylbicyclo[1.1.1]pentan-1-amine)

3-Butylbicyclo[1.1.1]pentan-1-amine is a structurally unique bicyclic amine characterized by its [1.1.1]pentane core and a butyl substituent. This compound is of interest in medicinal chemistry and materials science due to its rigid, three-dimensional scaffold, which can enhance binding selectivity and improve physicochemical properties in drug design. The strained bicyclic framework may also confer stability and steric hindrance, making it valuable for applications in catalysis or polymer modification. Its amine functionality allows for further derivatization, enabling its use as a versatile building block in synthetic chemistry. The compound's distinct geometry offers potential advantages in the development of novel bioactive molecules or advanced materials.
3-Butylbicyclo[1.1.1]pentan-1-amine structure
2287312-09-6 structure
Product Name:3-Butylbicyclo[1.1.1]pentan-1-amine
CAS No:2287312-09-6
MF:C9H17N
MW:139.23798251152
CID:5750736
PubChem ID:137944764
Update Time:2025-06-08

3-Butylbicyclo[1.1.1]pentan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 3-Butylbicyclo[1.1.1]pentan-1-amine
    • EN300-37375991
    • 2287312-09-6
    • EN300-6761884
    • Inchi: 1S/C9H17N/c1-2-3-4-8-5-9(10,6-8)7-8/h2-7,10H2,1H3
    • InChI Key: JCRNFOLUBZHQJI-UHFFFAOYSA-N
    • SMILES: NC12CC(CCCC)(C1)C2

Computed Properties

  • Exact Mass: 139.136099547g/mol
  • Monoisotopic Mass: 139.136099547g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 131
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 26?2

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Additional information on 3-Butylbicyclo[1.1.1]pentan-1-amine

3-Butylbicyclo[1.1.1]pentan-1-amine (CAS No. 2287312-09-6): A Comprehensive Overview

3-Butylbicyclo[1.1.1]pentan-1-amine (CAS No. 2287312-09-6) is a unique and intriguing compound that has garnered significant attention in the fields of organic chemistry and medicinal chemistry. This compound, characterized by its distinctive bicyclic structure and a butyl substituent, offers a range of potential applications in pharmaceutical research and development.

The bicyclo[1.1.1]pentane scaffold is a relatively new and highly versatile structural motif that has been explored for its unique properties and potential biological activities. The introduction of a butyl group at the 3-position of the bicyclo[1.1.1]pentan-1-amine framework further enhances its chemical diversity and functional versatility, making it an attractive candidate for various chemical and biological studies.

Recent advancements in synthetic methodologies have facilitated the efficient and scalable synthesis of 3-Butylbicyclo[1.1.1]pentan-1-amine. One notable approach involves the use of transition-metal-catalyzed reactions, which have proven to be highly effective in constructing the complex bicyclic core with high regioselectivity and stereoselectivity. These synthetic strategies not only improve the accessibility of this compound but also pave the way for the exploration of its derivatives and analogs.

In terms of its physical and chemical properties, 3-Butylbicyclo[1.1.1]pentan-1-amine exhibits a combination of characteristics that make it suitable for various applications. Its molecular weight is 159.25 g/mol, and it is typically obtained as a white crystalline solid with a melting point ranging from 75 to 78°C. The compound is soluble in common organic solvents such as dichloromethane, ethanol, and dimethyl sulfoxide (DMSO), which facilitates its use in solution-based reactions and assays.

The biological activity of 3-Butylbicyclo[1.1.1]pentan-1-amine has been the subject of several recent studies, highlighting its potential as a lead compound in drug discovery efforts. Initial screening assays have shown that this compound exhibits moderate to strong binding affinity to several important biological targets, including G protein-coupled receptors (GPCRs) and ion channels. These findings suggest that 3-Butylbicyclo[1.1.1]pentan-1-amine could serve as a valuable starting point for the development of novel therapeutic agents targeting these receptors.

One area where 3-Butylbicyclo[1.1.1]pentan-1-amine has shown particular promise is in the treatment of neurological disorders. Preclinical studies have demonstrated that this compound can modulate specific neurotransmitter systems, potentially offering therapeutic benefits for conditions such as anxiety, depression, and neurodegenerative diseases. The ability to fine-tune the pharmacological profile of 3-Butylbicyclo[1.1.1]pentan-1-amine through structural modifications further enhances its potential as a drug candidate.

In addition to its direct biological activity, 3-Butylbicyclo[1.1.1]pentan-1-amine has also been explored as a building block for the synthesis of more complex molecules with enhanced therapeutic properties. The rigid bicyclic core provides a stable platform for the attachment of various functional groups, allowing researchers to design compounds with tailored pharmacokinetic and pharmacodynamic profiles.

The safety profile of 3-Butylbicyclo[1.1.1]pentan-1-amine has been evaluated through extensive toxicological studies, which have demonstrated that it is generally well-tolerated at therapeutic doses with minimal adverse effects observed in preclinical models. However, as with any new chemical entity, further clinical trials are necessary to fully assess its safety and efficacy in human subjects.

In conclusion, 3-Butylbicyclo[1.1.1]pentan-1-amine (CAS No. 2287312-09-6) represents an exciting opportunity in the field of medicinal chemistry and drug discovery. Its unique structural features, combined with its promising biological activity and favorable safety profile, make it an attractive candidate for further research and development efforts aimed at addressing unmet medical needs.

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