N'-ethylmethanediimine

C3H6N2 — CID 12973440

IUPACN'-ethylmethanediimine
SMILESCCN=C=N
InChIInChI=1S/C3H6N2/c1-2-5-3-4/h4H,2H2,1H3
InChIKeyFEKRFYZGYUTGRY-UHFFFAOYSA-N
MW70.09 g/mol
LogP0.76
Rot. Bonds1

About N'-ethylmethanediimine

N'-ethylmethanediimine (PubChem CID 12973440) has the molecular formula C3H6N2 and a molecular weight of 70.09 g/mol. Its IUPAC name is N'-ethylmethanediimine.

Molecular Properties

Compound NameN'-ethylmethanediimine
PubChem CID12973440
Molecular FormulaC3H6N2
Molecular Weight70.09 g/mol
Exact Mass70.05
IUPAC NameN'-ethylmethanediimine
SMILESCCN=C=N
InChIInChI=1S/C3H6N2/c1-2-5-3-4/h4H,2H2,1H3
InChIKeyFEKRFYZGYUTGRY-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
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'-ethylmethanediimine?
The IUPAC name of N'-ethylmethanediimine (CID 12973440) is N'-ethylmethanediimine.
What is the SMILES notation for N'-ethylmethanediimine?
The canonical SMILES for N'-ethylmethanediimine is CCN=C=N.
What is the InChIKey of N'-ethylmethanediimine?
The InChIKey is FEKRFYZGYUTGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2/c1-2-5-3-4/h4H,2H2,1H3.
What are the key properties of N'-ethylmethanediimine?
N'-ethylmethanediimine has a molecular weight of 70.09 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylmethanediimine is sourced from PubChem (CID 12973440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).