1-(aminomethyl)cyclopentan-1-amine dihydrochloride

• ChemBase ID: 262117
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: C1(N)(CN)CCCC1.Cl.Cl
• Canonical SMILES: NCC1(N)CCCC1.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c7-5-6(8)3-1-2-4-6;;/h1-5,7-8H2;2*1H
• InChIKey: ARGFEIVXAKEXOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminomethyl)cyclopentan-1-amine dihydrochloride
• IUPAC Traditional name: 1-(aminomethyl)cyclopentan-1-amine dihydrochloride
• Synonyms: 1-(aminomethyl)cyclopentan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD16547503
• PubChem SID: 164318027
• PubChem CID: 17860786

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.9389935
• LogD (pH = 7.4): -2.8966331
• Log P: -0.1439721
• Molar Refractivity: 34.1714 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.56

Product Information

• Purity: 95%