3-methylbutanimidamide

• ChemBase ID: 307247
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• SMILES: C(=N)(N)CC(C)C
• Canonical SMILES: CC(CC(=N)N)C
• InChI: InChI=1S/C5H12N2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H3,6,7)
• InChIKey: NWMAYMXDONWXTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylbutanimidamide
• IUPAC Traditional name: 3-methylbutanimidamide
• Synonyms: 3-methylbutanimidamide

Database IDs

• CAS Number: 67777-12-2
• MDL Number: MFCD05663314

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.94379
• LogD (pH = 7.4): -1.9433708
• Log P: 0.47166348
• Molar Refractivity: 40.8365 cm^3
• Polarizability: 11.801808 Å^3
• Polar Surface Area: 49.87 Å^2