benzyl[2-(cyclohex-1-en-1-yl)ethyl]amine

• ChemBase ID: 311664
• Molecular Formular: C15H21N
• Molecular Mass: 215.33394
• Monoisotopic Mass: 215.16739968
• SMILES: C1(=CCCCC1)CCNCc1ccccc1
• Canonical SMILES: C1CCC(=CC1)CCNCc1ccccc1
• InChI: InChI=1S/C15H21N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h2,5-7,9-10,16H,1,3-4,8,11-13H2
• InChIKey: RTJNHLXWVAXRBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[2-(cyclohex-1-en-1-yl)ethyl]amine
• IUPAC Traditional name: benzyl[2-(cyclohex-1-en-1-yl)ethyl]amine
• Synonyms: N-benzyl-2-cyclohex-1-en-1-ylethanamine

Database IDs

• CAS Number: 118647-00-0
• MDL Number: MFCD03210652

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.39701158
• LogD (pH = 7.4): 1.2147077
• Log P: 3.6069133
• Molar Refractivity: 70.579 cm^3
• Polarizability: 27.549952 Å^3
• Polar Surface Area: 12.03 Å^2