2-[cyclopentyl(methyl)amino]acetamide

• ChemBase ID: 270978
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N(CC(=O)N)(C1CCCC1)C
• Canonical SMILES: CN(C1CCCC1)CC(=O)N
• InChI: InChI=1S/C8H16N2O/c1-10(6-8(9)11)7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,9,11)
• InChIKey: UAHZKFSPRMQRTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[cyclopentyl(methyl)amino]acetamide
• IUPAC Traditional name: 2-[cyclopentyl(methyl)amino]acetamide
• Synonyms: 2-[cyclopentyl(methyl)amino]acetamide

Database IDs

• MDL Number: MFCD11775756
• PubChem SID: 164326888
• PubChem CID: 19377665

CALCULATED PROPERTIES

• Acid pKa: 16.594751
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.609046
• LogD (pH = 7.4): -0.84867543
• Log P: 0.21591203
• Molar Refractivity: 44.3081 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78 - 80°C
• Hydrophobicity(logP): 0.548

Product Information

• Purity: 95%