1-amino-N-(cyclopropylmethyl)cyclopentane-1-carboxamide

• ChemBase ID: 234884
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: C(=O)(C1(N)CCCC1)NCC1CC1
• Canonical SMILES: O=C(C1(N)CCCC1)NCC1CC1
• InChI: InChI=1S/C10H18N2O/c11-10(5-1-2-6-10)9(13)12-7-8-3-4-8/h8H,1-7,11H2,(H,12,13)
• InChIKey: MCOHJMAPISWQMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-N-(cyclopropylmethyl)cyclopentane-1-carboxamide
• IUPAC Traditional name: 1-amino-N-(cyclopropylmethyl)cyclopentane-1-carboxamide
• Synonyms: 1-amino-N-(cyclopropylmethyl)cyclopentane-1-carboxamide

Database IDs

• MDL Number: MFCD12162200
• PubChem SID: 164290794
• PubChem CID: 60867200

CALCULATED PROPERTIES

• Acid pKa: 15.81154
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1951635
• LogD (pH = 7.4): -0.7285593
• Log P: 0.6326842
• Molar Refractivity: 51.1173 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 0.74

Product Information

• Purity: 95%