1-azabicyclo[3.2.1]octan-6-amine

• ChemBase ID: 243541
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: N12CC(C(C1)N)CCC2
• Canonical SMILES: NC1CN2CC1CCC2
• InChI: InChI=1S/C7H14N2/c8-7-5-9-3-1-2-6(7)4-9/h6-7H,1-5,8H2
• InChIKey: GCLSIYRDLHMSEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azabicyclo[3.2.1]octan-6-amine
• IUPAC Traditional name: 1-azabicyclo[3.2.1]octan-6-amine
• Synonyms: 1-azabicyclo[3.2.1]octan-6-amine

Database IDs

• MDL Number: MFCD19211653
• PubChem SID: 164299451
• PubChem CID: 55288950

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.1281533
• LogD (pH = 7.4): -3.2174737
• Log P: -0.20825313
• Molar Refractivity: 37.7903 cm^3
• Polarizability: 15.227027 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.505

Product Information

• Purity: 95%