2-(3-methylbutyl)cyclopentan-1-amine hydrochloride

• ChemBase ID: 269577
• Molecular Formular: C10H22ClN
• Molecular Mass: 191.74138
• Monoisotopic Mass: 191.14407739
• SMILES: C1(CCC(C)C)C(N)CCC1.Cl
• Canonical SMILES: CC(CCC1CCCC1N)C.Cl
• InChI: InChI=1S/C10H21N.ClH/c1-8(2)6-7-9-4-3-5-10(9)11;/h8-10H,3-7,11H2,1-2H3;1H
• InChIKey: ACKIFEORLVFVJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylbutyl)cyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 2-(3-methylbutyl)cyclopentan-1-amine hydrochloride
• Synonyms: 2-(3-methylbutyl)cyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD16990667
• PubChem SID: 164325487
• PubChem CID: 50988082

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.31344125
• LogD (pH = 7.4): -0.04631582
• Log P: 2.714941
• Molar Refractivity: 49.1552 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163 - 165°C
• Hydrophobicity(logP): 3.313

Product Information

• Purity: 95%