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

• ChemBase ID: 21797
• Molecular Formular: C15H28ClN
• Molecular Mass: 257.84252
• Monoisotopic Mass: 257.19102758
• SMILES: C1(=CCCCC1)CCNCC1CCCCC1.Cl
• Canonical SMILES: C1CCC(CC1)CNCCC1=CCCCC1.Cl
• InChI: InChI=1S/C15H27N.ClH/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;1H
• InChIKey: KIZQNPUDFBOQMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclohex-1-en-1-yl)ethyl](cyclohexylmethyl)amine hydrochloride
• IUPAC Traditional name: [2-(cyclohex-1-en-1-yl)ethyl](cyclohexylmethyl)amine hydrochloride
• Synonyms: 2-(1-Cyclohexen-1-yl)-N-(cyclohexylmethyl)-1-ethanamine hydrochloride

Database IDs

• MDL Number: MFCD03930946
• PubChem SID: 160985104
• PubChem CID: 11948824

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
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false