2-azabicyclo[3.3.1]nonane

• ChemBase ID: 128452
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: C12CC(CCC1)NCC2
• Canonical SMILES: C1CC2CCNC(C1)C2
• InChI: InChI=1S/C8H15N/c1-2-7-4-5-9-8(3-1)6-7/h7-9H,1-6H2
• InChIKey: ZPAPCUKKKOSLPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azabicyclo[3.3.1]nonane
• IUPAC Traditional name: morphan
• Synonyms: Morphan

Database IDs

• CAS Number: 280-66-0
• PubChem SID: 162222759
• PubChem CID: 12312973
• Wikipedia Title: Morphan

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8148942
• LogD (pH = 7.4): -1.4536769
• Log P: 1.4198782
• Molar Refractivity: 38.5246 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

• Melting Point: 131-132 °C