2-iminoethan-1-amine

• ChemBase ID: 1869
• Molecular Formular: C2H6N2
• Molecular Mass: 58.08244
• Monoisotopic Mass: 58.0530982
• SMILES: NCC=N
• Canonical SMILES: NCC=N
• InChI: InChI=1S/C2H6N2/c3-1-2-4/h1,3H,2,4H2
• InChIKey: AXQVKDQRBAXYBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iminoethan-1-amine
• IUPAC Traditional name: @2-aminoethanimidic acid
• Synonyms: 2-Aminoethanimidic Acid

Database IDs

• PubChem SID: 46505480; 160965324
• PubChem CID: 4471892

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.2279673
• LogD (pH = 7.4): -3.9545991
• Log P: -1.2934303
• Molar Refractivity: 27.55 cm^3
• Polarizability: 6.666726 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -2.14
• LOG S: -0.71
• Solubility (Water): 1.14e+01 g/l

DETAILS

DrugBank - DB02108

Drug information: experimental