methanediimine

C2H4N4 — CID 161145332

IUPACmethanediimine
SMILESN=C=N.N=C=N
InChIInChI=1S/2CH2N2/c2*2-1-3/h2*2-3H
InChIKeyUNYYWGMQEVFCMD-UHFFFAOYSA-N
MW84.08 g/mol
LogP0.64
Rot. Bonds

About methanediimine

methanediimine (PubChem CID 161145332) has the molecular formula C2H4N4 and a molecular weight of 84.08 g/mol. Its IUPAC name is methanediimine.

Molecular Properties

Compound Namemethanediimine
PubChem CID161145332
Molecular FormulaC2H4N4
Molecular Weight84.08 g/mol
Exact Mass84.04
IUPAC Namemethanediimine
SMILESN=C=N.N=C=N
InChIInChI=1S/2CH2N2/c2*2-1-3/h2*2-3H
InChIKeyUNYYWGMQEVFCMD-UHFFFAOYSA-N
XLogP0.64
TPSA95.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanediimine;zirconium
CID 175955107
aluminum;methanediimine;triiodide
CID 174884047
potassium;methanediimine;hydroxide
CID 174948340
methanediimine;sulfur monoxide
CID 173434188
cyclohexane;methanediimine
CID 161069555
iodomethane;methanediimine
CID 22323963
cyclobutane;methanediimine
CID 175046874
methanediimine;oxaldehyde
CID 175329130
dichloro(oxido)sulfanium;methanediimine
CID 174831171
cyclohexene;methanediimine
CID 135389565
isocyanic acid;sulfane
CID 161242825
CID 87228309
CID 87228309

Frequently Asked Questions

What is the IUPAC name of methanediimine?
The IUPAC name of methanediimine (CID 161145332) is methanediimine.
What is the SMILES notation for methanediimine?
The canonical SMILES for methanediimine is N=C=N.N=C=N.
What is the InChIKey of methanediimine?
The InChIKey is UNYYWGMQEVFCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH2N2/c2*2-1-3/h2*2-3H.
What are the key properties of methanediimine?
methanediimine has a molecular weight of 84.08 g/mol, XLogP of 0.64, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanediimine is sourced from PubChem (CID 161145332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).