(5S)-N-methyl-1-azabicyclo[3.3.1]nonan-3-amine

• ChemBase ID: 243535
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N12C[C@H](CC(C1)NC)CCC2
• Canonical SMILES: CNC1C[C@@H]2CCCN(C1)C2
• InChI: InChI=1S/C9H18N2/c1-10-9-5-8-3-2-4-11(6-8)7-9/h8-10H,2-7H2,1H3/t8-,9?/m0/s1
• InChIKey: AZOKZQRXTHUBNL-IENPIDJESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-N-methyl-1-azabicyclo[3.3.1]nonan-3-amine
• IUPAC Traditional name: (5S)-N-methyl-1-azabicyclo[3.3.1]nonan-3-amine
• Synonyms: (5S)-N-methyl-1-azabicyclo[3.3.1]nonan-3-amine

Database IDs

• MDL Number: MFCD22578692
• PubChem SID: 164299445
• PubChem CID: 71757273

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.1071625
• LogD (pH = 7.4): -2.1554384
• Log P: 0.6273392
• Molar Refractivity: 47.2647 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.764

Product Information

• Purity: 95%