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

• ChemBase ID: 311642
• Molecular Formular: C15H27N
• Molecular Mass: 221.38158
• Monoisotopic Mass: 221.21434987
• SMILES: C1(=CCCCC1)CCNCC1CCCCC1
• Canonical SMILES: C1CCC(CC1)CNCCC1=CCCCC1
• InChI: InChI=1S/C15H27N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h7,15-16H,1-6,8-13H2
• InChIKey: TWUKNQAZFDORMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclohex-1-en-1-yl)ethyl](cyclohexylmethyl)amine
• IUPAC Traditional name: [2-(cyclohex-1-en-1-yl)ethyl](cyclohexylmethyl)amine
• Synonyms: (2-cyclohex-1-en-1-ylethyl)(cyclohexylmethyl)amine

Database IDs

• CAS Number: 356540-21-1
• MDL Number: MFCD03211375

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7581107
• LogD (pH = 7.4): 0.9657377
• Log P: 3.9967234
• Molar Refractivity: 71.7114 cm^3
• Polarizability: 28.246042 Å^3
• Polar Surface Area: 12.03 Å^2