N-cyclopropyl-4-methylcyclohexan-1-amine hydrochloride

• ChemBase ID: 257229
• Molecular Formular: C10H20ClN
• Molecular Mass: 189.7255
• Monoisotopic Mass: 189.12842733
• SMILES: C1(CC1)NC1CCC(CC1)C.Cl
• Canonical SMILES: CC1CCC(CC1)NC1CC1.Cl
• InChI: InChI=1S/C10H19N.ClH/c1-8-2-4-9(5-3-8)11-10-6-7-10;/h8-11H,2-7H2,1H3;1H
• InChIKey: XHOWADIGHQFTLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-methylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: N-cyclopropyl-4-methylcyclohexan-1-amine hydrochloride
• Synonyms: N-cyclopropyl-N-(4-methylcyclohexyl)amine hydrochloride

Database IDs

• MDL Number: MFCD11099629
• PubChem SID: 164313139
• PubChem CID: 45286062

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8747983
• LogD (pH = 7.4): -0.4813722
• Log P: 2.3589756
• Molar Refractivity: 47.4674 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.386

Product Information

• Purity: 95%