N-cyclopropyl-4-ethylcyclohexan-1-amine hydrochloride

• ChemBase ID: 257227
• Molecular Formular: C11H22ClN
• Molecular Mass: 203.75208
• Monoisotopic Mass: 203.14407739
• SMILES: C1(CC1)NC1CCC(CC1)CC.Cl
• Canonical SMILES: CCC1CCC(CC1)NC1CC1.Cl
• InChI: InChI=1S/C11H21N.ClH/c1-2-9-3-5-10(6-4-9)12-11-7-8-11;/h9-12H,2-8H2,1H3;1H
• InChIKey: ZEFZFWVYEPKVFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-ethylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: N-cyclopropyl-4-ethylcyclohexan-1-amine hydrochloride
• Synonyms: N-cyclopropyl-N-(4-ethylcyclohexyl)amine hydrochloride

Database IDs

• MDL Number: MFCD11099628
• PubChem SID: 164313137
• PubChem CID: 45286061

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.43022937
• LogD (pH = 7.4): -0.036795244
• Log P: 2.8035443
• Molar Refractivity: 52.0684 cm^3
• Polarizability: 21.091114 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.915

Product Information

• Purity: 95%