2-(aminomethyl)cyclopentan-1-amine

• ChemBase ID: 279530
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: C1(C(N)CCC1)CN
• Canonical SMILES: NCC1CCCC1N
• InChI: InChI=1S/C6H14N2/c7-4-5-2-1-3-6(5)8/h5-6H,1-4,7-8H2
• InChIKey: SRGQQZYVZFJYHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)cyclopentan-1-amine
• IUPAC Traditional name: 2-(aminomethyl)cyclopentan-1-amine
• Synonyms: 2-(aminomethyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD00127789
• PubChem SID: 164335440
• PubChem CID: 89512

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.2983475
• LogD (pH = 7.4): -4.677463
• Log P: -0.40778786
• Molar Refractivity: 34.291 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%