N-ethyl-2-methylcyclohexan-1-amine hydrochloride

• ChemBase ID: 268982
• Molecular Formular: C9H20ClN
• Molecular Mass: 177.7148
• Monoisotopic Mass: 177.12842733
• SMILES: C1(C(C)CCCC1)NCC.Cl
• Canonical SMILES: CCNC1CCCCC1C.Cl
• InChI: InChI=1S/C9H19N.ClH/c1-3-10-9-7-5-4-6-8(9)2;/h8-10H,3-7H2,1-2H3;1H
• InChIKey: BIRNRGQOMCVXTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-methylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: N-ethyl-2-methylcyclohexan-1-amine hydrochloride
• Synonyms: N-ethyl-2-methylcyclohexan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD11615758
• PubChem SID: 164324892
• PubChem CID: 50988234

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9109992
• LogD (pH = 7.4): -0.73122585
• Log P: 2.328173
• Molar Refractivity: 44.9278 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 233 - 235°C
• Hydrophobicity(logP): 2.561

Product Information

• Purity: 95%