1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine

C7H12N2 — CID 91312795

IUPAC1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine
SMILESC=C(/C=N/CC)/N=C/C
InChIInChI=1S/C7H12N2/c1-4-8-6-7(3)9-5-2/h5-6H,3-4H2,1-2H3/b8-6+,9-5+
InChIKeyIETSTJRKQRVCBH-RFSWUZDDSA-N
MW124.19 g/mol
LogP1.68
Rot. Bonds3

About 1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine

1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine (PubChem CID 91312795) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine.

Molecular Properties

Compound Name1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine
PubChem CID91312795
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine
SMILESC=C(/C=N/CC)/N=C/C
InChIInChI=1S/C7H12N2/c1-4-8-6-7(3)9-5-2/h5-6H,3-4H2,1-2H3/b8-6+,9-5+
InChIKeyIETSTJRKQRVCBH-RFSWUZDDSA-N
XLogP1.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 76588964
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CID 118311796
2-fluoro-N-prop-1-en-2-ylprop-2-en-1-imine
CID 144380528
N-(3-fluoroprop-1-en-2-yl)ethanimine
CID 167049376
N-prop-1-en-2-ylethanimine
CID 13099162
N-prop-1-en-2-ylpropan-1-imine
CID 13099163
N-[(E)-but-2-en-2-yl]ethanimine
CID 18719779
1,5-dimethyl-2H-pyrazine
CID 20164412
N-but-2-en-2-ylethanimine
CID 20749343
N-but-2-en-2-ylpropan-1-imine
CID 21054927
Ethylidene-methyl-prop-1-en-2-ylazanium
CID 22082298

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine?
The IUPAC name of 1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine (CID 91312795) is 1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine.
What is the SMILES notation for 1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine?
The canonical SMILES for 1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine is C=C(/C=N/CC)/N=C/C.
What is the InChIKey of 1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine?
The InChIKey is IETSTJRKQRVCBH-RFSWUZDDSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-8-6-7(3)9-5-2/h5-6H,3-4H2,1-2H3/b8-6+,9-5+.
What are the key properties of 1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine?
1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-ethylideneprop-2-ene-1,2-diimine is sourced from PubChem (CID 91312795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).