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

• ChemBase ID: 243534
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N12C[C@H](CC(C1)N)CCC2
• Canonical SMILES: NC1C[C@@H]2CCCN(C1)C2
• InChI: InChI=1S/C8H16N2/c9-8-4-7-2-1-3-10(5-7)6-8/h7-8H,1-6,9H2/t7-,8?/m0/s1
• InChIKey: NCTCPDDJWQBCMA-JAMMHHFISA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22578691
• PubChem SID: 164299444
• PubChem CID: 71757272

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8338823
• LogD (pH = 7.4): -2.6981504
• Log P: 0.1947588
• Molar Refractivity: 42.4901 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.477

Product Information

• Purity: 95%