3-amino-N,N-diethylpropanamide

• ChemBase ID: 261040
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)(N(CC)CC)CCN
• Canonical SMILES: NCCC(=O)N(CC)CC
• InChI: InChI=1S/C7H16N2O/c1-3-9(4-2)7(10)5-6-8/h3-6,8H2,1-2H3
• InChIKey: PWFPMYPZAVNQQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N,N-diethylpropanamide
• IUPAC Traditional name: 3-amino-N,N-diethylpropanamide
• Synonyms: 3-amino-N,N-diethylpropanamide

Database IDs

• MDL Number: MFCD08060129
• PubChem SID: 164316950
• PubChem CID: 16793555

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.490489
• LogD (pH = 7.4): -2.2677517
• Log P: -0.5564374
• Molar Refractivity: 41.8156 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.128

Product Information

• Purity: 95%