4-amino-N,N-diethylbutanamide

• ChemBase ID: 258178
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: C(=O)(N(CC)CC)CCCN
• Canonical SMILES: NCCCC(=O)N(CC)CC
• InChI: InChI=1S/C8H18N2O/c1-3-10(4-2)8(11)6-5-7-9/h3-7,9H2,1-2H3
• InChIKey: UUTNMBJRQVMERG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N,N-diethylbutanamide
• IUPAC Traditional name: 4-amino-N,N-diethylbutanamide
• Synonyms: 4-amino-N,N-diethylbutanamide

Database IDs

• MDL Number: MFCD09726456
• PubChem SID: 164314088
• PubChem CID: 22692259

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2860332
• LogD (pH = 7.4): -2.7259195
• Log P: -0.2677762
• Molar Refractivity: 46.5706 cm^3
• Polarizability: 18.198185 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.373

Product Information

• Purity: 95%