(E)-3-N-ethylidenepent-2-ene-1,3-diimine

C7H12N2 — CID 123200842

IUPAC(E)-3-N-ethylidenepent-2-ene-1,3-diimine
SMILES[H]/N=C/C=C(CC)/N=C/C
InChIInChI=1S/C7H12N2/c1-3-7(5-6-8)9-4-2/h4-6,8H,3H2,1-2H3/b7-5+,8-6+,9-4+
InChIKeyZZVKWYDADOTHQF-NPZBPWIKSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds3

About (E)-3-N-ethylidenepent-2-ene-1,3-diimine

(E)-3-N-ethylidenepent-2-ene-1,3-diimine (PubChem CID 123200842) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (E)-3-N-ethylidenepent-2-ene-1,3-diimine.

Molecular Properties

Compound Name(E)-3-N-ethylidenepent-2-ene-1,3-diimine
PubChem CID123200842
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(E)-3-N-ethylidenepent-2-ene-1,3-diimine
SMILES[H]/N=C/C=C(CC)/N=C/C
InChIInChI=1S/C7H12N2/c1-3-7(5-6-8)9-4-2/h4-6,8H,3H2,1-2H3/b7-5+,8-6+,9-4+
InChIKeyZZVKWYDADOTHQF-NPZBPWIKSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.02
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

Dihydropyridin-4(1h)-imine
CID 19906283
5-Fluoro-2-methylidenepyridin-3-imine
CID 144500231
(Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine
CID 167231753
4,4-Difluoro-1-methyliminopent-2-en-3-amine
CID 173480483
4-Fluoro-1-methyliminopent-2-en-3-amine
CID 173565633
(E)-1-fluoroiminopent-2-en-2-amine
CID 173745510
5-Fluoro-1-iminopent-2-en-3-amine
CID 173929513
(4S)-4-fluoro-4-methylazepin-3-amine
CID 175192123
(Z)-1-tert-butyliminopent-2-en-3-amine
CID 10986475
4-(2-Fluoroethylimino)pent-2-en-2-amine
CID 163611570
4H-azepin-2-amine
CID 15128281
5-ethyl-3H-pyrrole
CID 18717561

Frequently Asked Questions

What is the IUPAC name of (E)-3-N-ethylidenepent-2-ene-1,3-diimine?
The IUPAC name of (E)-3-N-ethylidenepent-2-ene-1,3-diimine (CID 123200842) is (E)-3-N-ethylidenepent-2-ene-1,3-diimine.
What is the SMILES notation for (E)-3-N-ethylidenepent-2-ene-1,3-diimine?
The canonical SMILES for (E)-3-N-ethylidenepent-2-ene-1,3-diimine is [H]/N=C/C=C(CC)/N=C/C.
What is the InChIKey of (E)-3-N-ethylidenepent-2-ene-1,3-diimine?
The InChIKey is ZZVKWYDADOTHQF-NPZBPWIKSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7(5-6-8)9-4-2/h4-6,8H,3H2,1-2H3/b7-5+,8-6+,9-4+.
What are the key properties of (E)-3-N-ethylidenepent-2-ene-1,3-diimine?
(E)-3-N-ethylidenepent-2-ene-1,3-diimine has a molecular weight of 124.19 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-N-ethylidenepent-2-ene-1,3-diimine is sourced from PubChem (CID 123200842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).