9-azabicyclo[3.3.1]nonane

• ChemBase ID: 278978
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: N1C2CCCC1CCC2
• Canonical SMILES: C1CC2CCCC(C1)N2
• InChI: InChI=1S/C8H15N/c1-3-7-5-2-6-8(4-1)9-7/h7-9H,1-6H2
• InChIKey: ATPGYYPVVKZFGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-azabicyclo[3.3.1]nonane
• IUPAC Traditional name: 9-azabicyclo[3.3.1]nonane
• Synonyms: 9-azabicyclo[3.3.1]nonane

Database IDs

• MDL Number: MFCD13196388
• PubChem SID: 164334888
• PubChem CID: 286595

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6056774
• LogD (pH = 7.4): -1.1908067
• Log P: 1.6273879
• Molar Refractivity: 38.3178 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.808

Product Information

• Purity: 95%