N-methyl-N-(propan-2-yl)formamide

• ChemBase ID: 247715
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: C(=O)N(C(C)C)C
• Canonical SMILES: O=CN(C(C)C)C
• InChI: InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3
• InChIKey: ZKTLKYRAZWGBDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(propan-2-yl)formamide
• IUPAC Traditional name: N-isopropyl-N-methylformamide
• Synonyms: N-methyl-N-(propan-2-yl)formamide

Database IDs

• MDL Number: MFCD21121123
• PubChem SID: 164303625
• PubChem CID: 14529853

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.14174737
• LogD (pH = 7.4): 0.14174807
• Log P: 0.14174807
• Molar Refractivity: 28.9362 cm^3
• Polarizability: 11.1500025 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.2

Product Information

• Purity: 95%