cyclohex-1-en-1-ylmethanamine

• ChemBase ID: 307655
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: C1(=CCCCC1)CN
• Canonical SMILES: NCC1=CCCCC1
• InChI: InChI=1S/C7H13N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6,8H2
• InChIKey: AYQJCDBGGILQIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohex-1-en-1-ylmethanamine
• IUPAC Traditional name: cyclohex-1-en-1-ylmethanamine
• Synonyms: (cyclohex-1-en-1-ylmethyl)amine

Database IDs

• CAS Number: 32917-19-4
• MDL Number: MFCD09838369

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8400213
• LogD (pH = 7.4): -1.0255653
• Log P: 1.1611986
• Molar Refractivity: 36.4368 cm^3
• Polarizability: 14.213848 Å^3
• Polar Surface Area: 26.02 Å^2