bicyclo[3.1.0]hexan-2-amine

• ChemBase ID: 282202
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: C12CC1CCC2N
• Canonical SMILES: NC1CCC2C1C2
• InChI: InChI=1S/C6H11N/c7-6-2-1-4-3-5(4)6/h4-6H,1-3,7H2
• InChIKey: PVXPMXRWNGMGRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[3.1.0]hexan-2-amine
• IUPAC Traditional name: bicyclo[3.1.0]hexan-2-amine
• Synonyms: bicyclo[3.1.0]hexan-2-amine

Database IDs

• MDL Number: MFCD17480481
• PubChem SID: 180667733
• PubChem CID: 50989726

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5553453
• LogD (pH = 7.4): -2.2841954
• Log P: 0.47294036
• Molar Refractivity: 28.949 cm^3
• Polarizability: 11.859141 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.563

Product Information

• Purity: 95%