(2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine

C18H24N2 — CID 142324125

IUPAC(2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine
SMILESC=C/C(=C\C)C/N=C(\C=C(\C)N=C)C(/C=C)=C/C=C\C
InChIInChI=1S/C18H24N2/c1-7-11-12-17(10-4)18(13-15(5)19-6)20-14-16(8-2)9-3/h7-13H,2,4,6,14H2,1,3,5H3/b11-7-,15-13-,16-9+,17-12+,20-18+
InChIKeyCBYWDNXNOOWKNA-NZNMBKTPSA-N
MW268.40 g/mol
LogP4.85
Rot. Bonds8

About (2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine

(2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine (PubChem CID 142324125) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine.

Molecular Properties

Compound Name(2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine
PubChem CID142324125
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name(2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine
SMILESC=C/C(=C\C)C/N=C(\C=C(\C)N=C)C(/C=C)=C/C=C\C
InChIInChI=1S/C18H24N2/c1-7-11-12-17(10-4)18(13-15(5)19-6)20-14-16(8-2)9-3/h7-13H,2,4,6,14H2,1,3,5H3/b11-7-,15-13-,16-9+,17-12+,20-18+
InChIKeyCBYWDNXNOOWKNA-NZNMBKTPSA-N
XLogP4.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
CID 121321882
(E)-N-[3-(ethenyliminomethyl)buta-1,3-dien-2-yl]-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123431326
5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine
CID 123938860
(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
(2E,4Z)-N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-imine
CID 144102746
(2E)-2-[(1Z)-1-(ethylideneamino)buta-1,3-dienyl]-3-(fluoromethyl)hexa-2,5-dienimidoyl fluoride
CID 167120260
(4E,6Z)-4-(1-fluoroethenyl)-5-[(1R)-1-[[(2Z,4E)-hexa-2,4-dienylidene]amino]propyl]-7-methyl-N-[(Z)-prop-1-enyl]nona-1,4,6,8-tetraen-3-imine
CID 173799592
1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
CID 153383099
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115
2-N-prop-1-en-2-yl-1-N-propylcyclohexa-3,5-diene-1,2-diimine
CID 68004177
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
2-Methyl-3,6-dimethylidenepyridine
CID 70499080

Frequently Asked Questions

What is the IUPAC name of (2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine?
The IUPAC name of (2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine (CID 142324125) is (2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine.
What is the SMILES notation for (2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine?
The canonical SMILES for (2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine is C=C/C(=C\C)C/N=C(\C=C(\C)N=C)C(/C=C)=C/C=C\C.
What is the InChIKey of (2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine?
The InChIKey is CBYWDNXNOOWKNA-NZNMBKTPSA-N. The full InChI is InChI=1S/C18H24N2/c1-7-11-12-17(10-4)18(13-15(5)19-6)20-14-16(8-2)9-3/h7-13H,2,4,6,14H2,1,3,5H3/b11-7-,15-13-,16-9+,17-12+,20-18+.
What are the key properties of (2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine?
(2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine has a molecular weight of 268.40 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E,7Z)-5-ethenyl-4-N-[(E)-2-ethenylbut-2-enyl]-2-N-methylidenenona-2,5,7-triene-2,4-diimine is sourced from PubChem (CID 142324125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).