(4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine

C14H24N2 — CID 91436110

IUPAC(4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine
SMILES[H]/N=C(CCCC)/C(=C/C)C(=CC)/N=C/CC
InChIInChI=1S/C14H24N2/c1-5-9-10-13(15)12(7-3)14(8-4)16-11-6-2/h7-8,11,15H,5-6,9-10H2,1-4H3/b12-7-,14-8?,15-13+,16-11+
InChIKeyWYUWLCBQPOUGCE-CZPWGMJVSA-N
MW220.36 g/mol
LogP4.53
Rot. Bonds7

About (4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine

(4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine (PubChem CID 91436110) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine.

Molecular Properties

Compound Name(4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine
PubChem CID91436110
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine
SMILES[H]/N=C(CCCC)/C(=C/C)C(=CC)/N=C/CC
InChIInChI=1S/C14H24N2/c1-5-9-10-13(15)12(7-3)14(8-4)16-11-6-2/h7-8,11,15H,5-6,9-10H2,1-4H3/b12-7-,14-8?,15-13+,16-11+
InChIKeyWYUWLCBQPOUGCE-CZPWGMJVSA-N
XLogP4.53
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Fluoro-1-(5-methyl-4-methylideneazepin-2-yl)butan-1-imine
CID 123400945
5,6-Dihydroindol-4-imine
CID 57269353
(2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine
CID 89473884
6-Ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine
CID 123490439
N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine
CID 123728820
3-(4-Butyl-6-ethylidene-2-methylpyrimidin-5-ylidene)prop-2-en-1-imine
CID 123783644
4-Butyl-2,3-dimethylidenepyridine
CID 123844863
(4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine
CID 123953591
3-Tert-butyl-4,6-dihydroindol-5-imine
CID 123975434
(Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine
CID 123977223
1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine
CID 123987371
N-[(1Z)-2-methanimidoylcycloundecen-1-yl]ethanimine
CID 132001613

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine?
The IUPAC name of (4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine (CID 91436110) is (4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine.
What is the SMILES notation for (4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine?
The canonical SMILES for (4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine is [H]/N=C(CCCC)/C(=C/C)C(=CC)/N=C/CC.
What is the InChIKey of (4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine?
The InChIKey is WYUWLCBQPOUGCE-CZPWGMJVSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-9-10-13(15)12(7-3)14(8-4)16-11-6-2/h7-8,11,15H,5-6,9-10H2,1-4H3/b12-7-,14-8?,15-13+,16-11+.
What are the key properties of (4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine?
(4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine has a molecular weight of 220.36 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine is sourced from PubChem (CID 91436110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).