N'-methylethane-1,2-diimine

C3H6N2 — CID 91262358

IUPACN'-methylethane-1,2-diimine
SMILES[H]/N=C/C=N/C
InChIInChI=1S/C3H6N2/c1-5-3-2-4/h2-4H,1H3/b4-2+,5-3+
InChIKeyAOIAFNUHFDMYJG-ZUVMSYQZSA-N
MW70.09 g/mol
LogP0.34
Rot. Bonds1

About N'-methylethane-1,2-diimine

N'-methylethane-1,2-diimine (PubChem CID 91262358) has the molecular formula C3H6N2 and a molecular weight of 70.09 g/mol. Its IUPAC name is N'-methylethane-1,2-diimine.

Molecular Properties

Compound NameN'-methylethane-1,2-diimine
PubChem CID91262358
Molecular FormulaC3H6N2
Molecular Weight70.09 g/mol
Exact Mass70.05
IUPAC NameN'-methylethane-1,2-diimine
SMILES[H]/N=C/C=N/C
InChIInChI=1S/C3H6N2/c1-5-3-2-4/h2-4H,1H3/b4-2+,5-3+
InChIKeyAOIAFNUHFDMYJG-ZUVMSYQZSA-N
XLogP0.34
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methylethane-1,2-diimine?
The IUPAC name of N'-methylethane-1,2-diimine (CID 91262358) is N'-methylethane-1,2-diimine.
What is the SMILES notation for N'-methylethane-1,2-diimine?
The canonical SMILES for N'-methylethane-1,2-diimine is [H]/N=C/C=N/C.
What is the InChIKey of N'-methylethane-1,2-diimine?
The InChIKey is AOIAFNUHFDMYJG-ZUVMSYQZSA-N. The full InChI is InChI=1S/C3H6N2/c1-5-3-2-4/h2-4H,1H3/b4-2+,5-3+.
What are the key properties of N'-methylethane-1,2-diimine?
N'-methylethane-1,2-diimine has a molecular weight of 70.09 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylethane-1,2-diimine is sourced from PubChem (CID 91262358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).