(Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine

C14H19N — CID 166663720

IUPAC(Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine
SMILESC=C/C=C\C(=C/C)\N=C\C(\C=C/C)=C\C
InChIInChI=1S/C14H19N/c1-5-9-11-14(8-4)15-12-13(7-3)10-6-2/h5-12H,1H2,2-4H3/b10-6-,11-9-,13-7+,14-8+,15-12+
InChIKeyILPLIMVXJFMPGC-MWOWKDSOSA-N
MW201.31 g/mol
LogP4.23
Rot. Bonds5

About (Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine

(Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine (PubChem CID 166663720) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine
PubChem CID166663720
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine
SMILESC=C/C=C\C(=C/C)\N=C\C(\C=C/C)=C\C
InChIInChI=1S/C14H19N/c1-5-9-11-14(8-4)15-12-13(7-3)10-6-2/h5-12H,1H2,2-4H3/b10-6-,11-9-,13-7+,14-8+,15-12+
InChIKeyILPLIMVXJFMPGC-MWOWKDSOSA-N
XLogP4.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine 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

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine
CID 129313823
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
N-[(2E,4Z)-octa-2,4,6-trien-3-yl]ethanimine
CID 156898609
ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine
CID 143996029
(Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine
CID 178060886
(2Z,7Z)-4,6-dimethylidenedeca-2,7,9-trien-5-one;ethane;prop-1-ene
CID 144870179
2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile
CID 145486678
(2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine
CID 145060065
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide
CID 118357992
6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 123254691

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine?
The IUPAC name of (Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine (CID 166663720) is (Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine.
What is the SMILES notation for (Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine?
The canonical SMILES for (Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine is C=C/C=C\C(=C/C)\N=C\C(\C=C/C)=C\C.
What is the InChIKey of (Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine?
The InChIKey is ILPLIMVXJFMPGC-MWOWKDSOSA-N. The full InChI is InChI=1S/C14H19N/c1-5-9-11-14(8-4)15-12-13(7-3)10-6-2/h5-12H,1H2,2-4H3/b10-6-,11-9-,13-7+,14-8+,15-12+.
What are the key properties of (Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine?
(Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine has a molecular weight of 201.31 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine is sourced from PubChem (CID 166663720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).