8-azabicyclo[3.2.1]octane

• ChemBase ID: 281579
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: N1C2CCC1CCC2
• Canonical SMILES: C1CC2CCC(C1)N2
• InChI: InChI=1S/C7H13N/c1-2-6-4-5-7(3-1)8-6/h6-8H,1-5H2
• InChIKey: DGGKXQQCVPAUEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-azabicyclo[3.2.1]octane
• IUPAC Traditional name: 8-azabicyclo[3.2.1]octane
• Synonyms: 8-azabicyclo[3.2.1]octane

Database IDs

• MDL Number: MFCD13196389
• PubChem SID: 180667110
• PubChem CID: 136097

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0582054
• LogD (pH = 7.4): -1.9863867
• Log P: 1.1828192
• Molar Refractivity: 33.7168 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.249

Product Information

• Purity: 95%