9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine

• ChemBase ID: 264213
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1(C2CC(CC1CCC2)N)Cc1ccccc1
• Canonical SMILES: NC1CC2CCCC(C1)N2Cc1ccccc1
• InChI: InChI=1S/C15H22N2/c16-13-9-14-7-4-8-15(10-13)17(14)11-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11,16H2
• InChIKey: UWEVJKJUENNRQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
• IUPAC Traditional name: 9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
• Synonyms: 9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine

Database IDs

• MDL Number: MFCD13806395
• PubChem SID: 164320123
• PubChem CID: 13178758

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5202732
• LogD (pH = 7.4): -0.773679
• Log P: 2.0957208
• Molar Refractivity: 71.4649 cm^3
• Polarizability: 28.551027 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.055

Product Information

• Purity: 95%