Cas no 279-85-6 (6-Azabicyclo[3.2.1]octane)

6-Azabicyclo[3.2.1]octane structure
6-Azabicyclo[3.2.1]octane structure
Product Name:6-Azabicyclo[3.2.1]octane
CAS No:279-85-6
MF:C7H13N
MW:111.184821844101
CID:1433082
PubChem ID:549419
Update Time:2025-11-01

6-Azabicyclo[3.2.1]octane Chemical and Physical Properties

Names and Identifiers

    • 6-Azabicyclo[3.2.1]octane
    • VJPPDEZWWKCSIV-UHFFFAOYSA-N
    • BS-37505
    • CS-0130657
    • 6-AZA-BICYCLO[3.2.1]OCTANE
    • EN300-736621
    • 279-85-6
    • DTXSID50338502
    • SCHEMBL27585
    • 6-azabicyclo(3.2.1)octane
    • Inchi: 1S/C7H13N/c1-2-6-4-7(3-1)8-5-6/h6-8H,1-5H2
    • InChI Key: VJPPDEZWWKCSIV-UHFFFAOYSA-N
    • SMILES: N1CC2CCCC1C2

Computed Properties

  • Exact Mass: 111.10489
  • Monoisotopic Mass: 111.104799419g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 90.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • PSA: 12.03

6-Azabicyclo[3.2.1]octane Pricemore >>

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6-Azabicyclo[3.2.1]octane Related Literature

Additional information on 6-Azabicyclo[3.2.1]octane

Professional Introduction to Compound with CAS No. 279-85-6 and Product Name: 6-Azabicyclo[3.2.1]octane

The compound with the CAS number 279-85-6 is identified as 6-Azabicyclo[3.2.1]octane, a cyclic organic molecule that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology due to its unique structural and functional properties. This bicyclic amine derivative features a nitrogen atom embedded within a rigid three-membered ring fused to a five-membered ring, creating a framework that is both structurally complex and biologically intriguing.

The significance of 6-Azabicyclo[3.2.1]octane lies in its potential as a pharmacophore, a key structural feature that is predictive of biological activity. The presence of the azabicyclic core imparts specific steric and electronic characteristics that can modulate interactions with biological targets, making it a valuable scaffold for drug discovery efforts. Recent advancements in computational chemistry and molecular modeling have enabled researchers to predict the binding affinities and mechanisms of action of such compounds with unprecedented accuracy, thereby accelerating the development of novel therapeutic agents.

In the realm of medicinal chemistry, 6-Azabicyclo[3.2.1]octane has been explored for its potential applications in treating various neurological disorders. The rigid bicyclic structure mimics natural bioactive scaffolds found in neuroactive peptides, suggesting that derivatives of this compound could exhibit similar pharmacological effects. For instance, studies have indicated that modifications to the nitrogen-containing ring can influence receptor binding profiles, leading to enhanced efficacy or selectivity in therapeutic contexts.

One of the most compelling aspects of 6-Azabicyclo[3.2.1]octane is its versatility as a chemical building block. Researchers have demonstrated its utility in synthesizing a diverse array of analogs by introducing functional groups at strategic positions within the bicyclic framework. These modifications can fine-tune the compound's pharmacokinetic properties, such as solubility, metabolic stability, and blood-brain barrier penetration, which are critical factors for clinical success.

The synthesis of 6-Azabicyclo[3.2.1]octane itself presents both challenges and opportunities for synthetic chemists. Traditional methods often involve multi-step processes that require careful optimization to achieve high yields and purity. However, recent innovations in catalytic chemistry have provided more efficient routes to this compound, reducing the environmental footprint and improving scalability for industrial applications.

From a biological perspective, 6-Azabicyclo[3.2.1]octane has been investigated for its potential role in modulating enzyme activity and signal transduction pathways relevant to diseases such as cancer and inflammation. Preclinical studies have shown promising results when derivatives of this compound are tested against cellular models, suggesting their therapeutic potential requires further exploration through clinical trials.

The integration of 6-Azabicyclo[3.2.1]octane into drug development pipelines is also influenced by advances in biocatalysis and green chemistry principles. By leveraging enzymatic reactions or renewable feedstocks, researchers aim to develop sustainable methods for producing this compound and its derivatives, aligning with global efforts to promote environmentally responsible pharmaceutical manufacturing.

As interest in structure-based drug design continues to grow, 6-Azabicyclo[3.2.1]octane remains a focal point for innovation in medicinal chemistry. Its unique structural features offer a rich foundation for developing novel therapeutics with improved efficacy and reduced side effects compared to existing treatments.

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