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

• ChemBase ID: 286191
• Molecular Formular: C10H19ClN2O
• Molecular Mass: 218.72366
• Monoisotopic Mass: 218.11859092
• SMILES: C(=O)(C1(N)CCCC1)NCC1CC1.Cl
• Canonical SMILES: O=C(C1(N)CCCC1)NCC1CC1.Cl
• InChI: InChI=1S/C10H18N2O.ClH/c11-10(5-1-2-6-10)9(13)12-7-8-3-4-8;/h8H,1-7,11H2,(H,12,13);1H
• InChIKey: DIMJAUJLVAJXLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21602741
• PubChem SID: 180671722
• PubChem CID: 73994828

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: 197 - 199°C
• Hydrophobicity(logP): 0.74

Product Information

• Purity: 95%