1-(aminomethyl)cyclopentane-1-carboxamide

• ChemBase ID: 275474
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C1(C(=O)N)(CN)CCCC1
• Canonical SMILES: NCC1(CCCC1)C(=O)N
• InChI: InChI=1S/C7H14N2O/c8-5-7(6(9)10)3-1-2-4-7/h1-5,8H2,(H2,9,10)
• InChIKey: DWVJVUQKCKNIHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminomethyl)cyclopentane-1-carboxamide
• IUPAC Traditional name: 1-(aminomethyl)cyclopentane-1-carboxamide
• Synonyms: 1-(aminomethyl)cyclopentane-1-carboxamide

Database IDs

• MDL Number: MFCD16118413
• PubChem SID: 164331384
• PubChem CID: 54593698

CALCULATED PROPERTIES

• Acid pKa: 16.658384
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.134698
• LogD (pH = 7.4): -1.9406096
• Log P: -0.19299343
• Molar Refractivity: 39.0003 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61 - 63°C
• Hydrophobicity(logP): -0.092

Product Information

• Purity: 95%