N-(2-methylpropyl)cyclohexanamine hydrochloride

• ChemBase ID: 263963
• Molecular Formular: C10H22ClN
• Molecular Mass: 191.74138
• Monoisotopic Mass: 191.14407739
• SMILES: N(CC(C)C)C1CCCCC1.Cl
• Canonical SMILES: CC(CNC1CCCCC1)C.Cl
• InChI: InChI=1S/C10H21N.ClH/c1-9(2)8-11-10-6-4-3-5-7-10;/h9-11H,3-8H2,1-2H3;1H
• InChIKey: IRDNDRGGYSYJHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylpropyl)cyclohexanamine hydrochloride
• IUPAC Traditional name: N-(2-methylpropyl)cyclohexanamine hydrochloride
• Synonyms: N-(2-methylpropyl)cyclohexanamine hydrochloride

Database IDs

• MDL Number: MFCD13196214
• PubChem SID: 164319873
• PubChem CID: 45792458

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.38928616
• LogD (pH = 7.4): -0.253359
• Log P: 2.8506951
• Molar Refractivity: 49.4518 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 275 - 277°C
• Hydrophobicity(logP): 2.97

Product Information

• Purity: 95%