1-(methylamino)cyclopentane-1-carboxamide

• ChemBase ID: 243840
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C(=O)(C1(NC)CCCC1)N
• Canonical SMILES: CNC1(CCCC1)C(=O)N
• InChI: InChI=1S/C7H14N2O/c1-9-7(6(8)10)4-2-3-5-7/h9H,2-5H2,1H3,(H2,8,10)
• InChIKey: OESOTMQEPBMDID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12151155
• PubChem SID: 164299750
• PubChem CID: 60795348

CALCULATED PROPERTIES

• Acid pKa: 16.425615
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0475528
• LogD (pH = 7.4): -1.7168062
• Log P: 0.06101124
• Molar Refractivity: 39.0532 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): -0.158

Product Information

• Purity: 95%