methanimidamide

• ChemBase ID: 122973
• Molecular Formular: CH4N2
• Molecular Mass: 44.05586
• Monoisotopic Mass: 44.03744814
• SMILES: C(=N)N
• Canonical SMILES: NC=N
• InChI: InChI=1S/CH4N2/c2-1-3/h1H,(H3,2,3)
• InChIKey: PNKUSGQVOMIXLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanimidamide
• IUPAC Traditional name: formamidine
• Synonyms: formimidamide

Database IDs

• PubChem SID: 162217326
• PubChem CID: 68047

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4245942
• LogD (pH = 7.4): -3.4227586
• Log P: -1.0091588
• Molar Refractivity: 22.5695 cm^3
• Polarizability: 4.447926 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true