(Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine

C8H14N2 — CID 123339109

IUPAC(Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine
SMILESC/C=C(/C=N/CC)\N=C\C
InChIInChI=1S/C8H14N2/c1-4-8(10-6-3)7-9-5-2/h4,6-7H,5H2,1-3H3/b8-4-,9-7+,10-6+
InChIKeyXZMTXIROSUDVLK-IHUNFIOWSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds3

About (Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine

(Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine (PubChem CID 123339109) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine.

Molecular Properties

Compound Name(Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine
PubChem CID123339109
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine
SMILESC/C=C(/C=N/CC)\N=C\C
InChIInChI=1S/C8H14N2/c1-4-8(10-6-3)7-9-5-2/h4,6-7H,5H2,1-3H3/b8-4-,9-7+,10-6+
InChIKeyXZMTXIROSUDVLK-IHUNFIOWSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.07
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

N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine
CID 91012479
(Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine
CID 118311796
(Z)-N-[(E)-1-fluoroprop-1-en-2-yl]but-2-en-1-imine
CID 142010108
N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine
CID 142931568
(E)-2-fluoro-N-prop-1-en-2-ylbut-2-en-1-imine
CID 144406116
(E)-N-[(Z)-but-2-en-2-yl]-2-fluorobut-2-en-1-imine
CID 155440212
N-prop-1-en-2-ylethanimine
CID 13099162
N-[(E)-but-2-en-2-yl]ethanimine
CID 18719779
N-but-2-en-2-ylethanimine
CID 20749343
N-but-2-en-2-ylpropan-1-imine
CID 21054927
[(Z)-3-(dimethylamino)but-2-enylidene]-dimethylazanium
CID 21132459
2-Methylazocine
CID 57078389

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine?
The IUPAC name of (Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine (CID 123339109) is (Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine.
What is the SMILES notation for (Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine?
The canonical SMILES for (Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine is C/C=C(/C=N/CC)\N=C\C.
What is the InChIKey of (Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine?
The InChIKey is XZMTXIROSUDVLK-IHUNFIOWSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(10-6-3)7-9-5-2/h4,6-7H,5H2,1-3H3/b8-4-,9-7+,10-6+.
What are the key properties of (Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine?
(Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine is sourced from PubChem (CID 123339109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).