1-cyclohexylpentan-3-amine hydrochloride

• ChemBase ID: 265876
• Molecular Formular: C11H24ClN
• Molecular Mass: 205.76796
• Monoisotopic Mass: 205.15972745
• SMILES: Cl.NC(CCC1CCCCC1)CC
• Canonical SMILES: CCC(CCC1CCCCC1)N.Cl
• InChI: InChI=1S/C11H23N.ClH/c1-2-11(12)9-8-10-6-4-3-5-7-10;/h10-11H,2-9,12H2,1H3;1H
• InChIKey: IHUXOOTYMVSIDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylpentan-3-amine hydrochloride
• IUPAC Traditional name: 1-cyclohexylpentan-3-amine hydrochloride
• Synonyms: 1-cyclohexylpentan-3-amine hydrochloride

Database IDs

• MDL Number: MFCD15209557
• PubChem SID: 164321786
• PubChem CID: 47002536

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.21106142
• LogD (pH = 7.4): 0.49211463
• Log P: 3.2391055
• Molar Refractivity: 53.8856 cm^3
• Polarizability: 21.833244 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138 - 140°C
• Hydrophobicity(logP): 3.882

Product Information

• Purity: 95%