bicyclo[2.2.1]heptan-2-ylmethanamine

• ChemBase ID: 265620
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: C12C(CC(C1)CC2)CN
• Canonical SMILES: NCC1CC2CC1CC2
• InChI: InChI=1S/C8H15N/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5,9H2
• InChIKey: HWMZHVLJBQTGOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[2.2.1]heptan-2-ylmethanamine
• IUPAC Traditional name: bicyclo[2.2.1]heptan-2-ylmethanamine
• Synonyms: bicyclo[2.2.1]heptan-2-ylmethanamine

Database IDs

• MDL Number: MFCD01711508
• PubChem SID: 164321530
• PubChem CID: 97761

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8695484
• LogD (pH = 7.4): -1.4535217
• Log P: 1.1545681
• Molar Refractivity: 38.3578 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.261

Product Information

• Purity: 95%