2-(ethylamino)-N-methylacetamide

• ChemBase ID: 257189
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(NC)CNCC
• Canonical SMILES: CCNCC(=O)NC
• InChI: InChI=1S/C5H12N2O/c1-3-7-4-5(8)6-2/h7H,3-4H2,1-2H3,(H,6,8)
• InChIKey: CTWKDSQETUYEAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylamino)-N-methylacetamide
• IUPAC Traditional name: 2-(ethylamino)-N-methylacetamide
• Synonyms: 2-(ethylamino)-N-methylacetamide

Database IDs

• MDL Number: MFCD09808153
• PubChem SID: 164313099
• PubChem CID: 18070451

CALCULATED PROPERTIES

• Acid pKa: 16.244545
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.949489
• LogD (pH = 7.4): -2.4358487
• Log P: -0.94135374
• Molar Refractivity: 32.2455 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.735

Product Information

• Purity: 95%