N,N,3-trimethylbutanamide

• ChemBase ID: 71576
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C(=O)(N(C)C)CC(C)C
• Canonical SMILES: CC(CC(=O)N(C)C)C
• InChI: InChI=1S/C7H15NO/c1-6(2)5-7(9)8(3)4/h6H,5H2,1-4H3
• InChIKey: LVQDLURAEDSMES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,3-trimethylbutanamide
• IUPAC Traditional name: N,N,3-trimethylbutanamide
• Synonyms: N,N,3-Trimethylbutanamide

Database IDs

• PubChem SID: 162103643
• PubChem CID: 4635762

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8491868
• LogD (pH = 7.4): 0.8491874
• Log P: 0.84918743
• Molar Refractivity: 38.0358 cm^3
• Polarizability: 14.829458 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT