N'-ethylideneprop-2-ene-1,3-diimine

C5H8N2 — CID 91469130

IUPACN'-ethylideneprop-2-ene-1,3-diimine
SMILES[H]/N=C/C=C/N=C/C
InChIInChI=1S/C5H8N2/c1-2-7-5-3-4-6/h2-6H,1H3/b5-3?,6-4+,7-2+
InChIKeyBPYSLLBJJYNJJV-GUDJQIKDSA-N
MW96.13 g/mol
LogP1.24
Rot. Bonds2

About N'-ethylideneprop-2-ene-1,3-diimine

N'-ethylideneprop-2-ene-1,3-diimine (PubChem CID 91469130) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is N'-ethylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound NameN'-ethylideneprop-2-ene-1,3-diimine
PubChem CID91469130
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC NameN'-ethylideneprop-2-ene-1,3-diimine
SMILES[H]/N=C/C=C/N=C/C
InChIInChI=1S/C5H8N2/c1-2-7-5-3-4-6/h2-6H,1H3/b5-3?,6-4+,7-2+
InChIKeyBPYSLLBJJYNJJV-GUDJQIKDSA-N
XLogP1.24
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanaminium, N-[(2E)-3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 638326
[1,4,8,11]Tetraazacyclotetradecin
CID 17888082
1,5-Diazocine
CID 18539309
2H-1,4-diazepine
CID 21940662
(1E)-N-(Prop-1-en-1-yl)propan-1-imine
CID 54113889
N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 91606293
N-methyl-2-aminopyrimidine
CID 121273779
[1,5,9,13]Tetraazacyclohexadecine
CID 129657122
(Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine
CID 163663920
N-[(Z)-3-iminoprop-1-enyl]methanimidoyl fluoride
CID 169963153
3-(4-Fluorobutylimino)prop-1-en-1-amine
CID 173874941
Methanaminium, N-[3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 3994380

Frequently Asked Questions

What is the IUPAC name of N'-ethylideneprop-2-ene-1,3-diimine?
The IUPAC name of N'-ethylideneprop-2-ene-1,3-diimine (CID 91469130) is N'-ethylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for N'-ethylideneprop-2-ene-1,3-diimine?
The canonical SMILES for N'-ethylideneprop-2-ene-1,3-diimine is [H]/N=C/C=C/N=C/C.
What is the InChIKey of N'-ethylideneprop-2-ene-1,3-diimine?
The InChIKey is BPYSLLBJJYNJJV-GUDJQIKDSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-7-5-3-4-6/h2-6H,1H3/b5-3?,6-4+,7-2+.
What are the key properties of N'-ethylideneprop-2-ene-1,3-diimine?
N'-ethylideneprop-2-ene-1,3-diimine has a molecular weight of 96.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 91469130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).