(3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine

C19H26N2 — CID 118616228

IUPAC(3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine
SMILESC=C/C=N/C=C/C=C\C/C=N/C(=CCC)/C(C=C)=C/CC
InChIInChI=1S/C19H26N2/c1-5-13-18(8-4)19(14-6-2)21-17-12-10-9-11-16-20-15-7-3/h7-11,13-17H,3-6,12H2,1-2H3/b10-9-,16-11+,18-13+,19-14-,20-15+,21-17+
InChIKeyMTGLFXPMLQUNSG-IBCLYRSNSA-N
MW282.43 g/mol
LogP5.59
Rot. Bonds10

About (3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine

(3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine (PubChem CID 118616228) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine.

Molecular Properties

Compound Name(3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine
PubChem CID118616228
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine
SMILESC=C/C=N/C=C/C=C\C/C=N/C(=CCC)/C(C=C)=C/CC
InChIInChI=1S/C19H26N2/c1-5-13-18(8-4)19(14-6-2)21-17-12-10-9-11-16-20-15-7-3/h7-11,13-17H,3-6,12H2,1-2H3/b10-9-,16-11+,18-13+,19-14-,20-15+,21-17+
InChIKeyMTGLFXPMLQUNSG-IBCLYRSNSA-N
XLogP5.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.59
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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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine?
The IUPAC name of (3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine (CID 118616228) is (3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine.
What is the SMILES notation for (3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine?
The canonical SMILES for (3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine is C=C/C=N/C=C/C=C\C/C=N/C(=CCC)/C(C=C)=C/CC.
What is the InChIKey of (3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine?
The InChIKey is MTGLFXPMLQUNSG-IBCLYRSNSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-13-18(8-4)19(14-6-2)21-17-12-10-9-11-16-20-15-7-3/h7-11,13-17H,3-6,12H2,1-2H3/b10-9-,16-11+,18-13+,19-14-,20-15+,21-17+.
What are the key properties of (3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine?
(3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine has a molecular weight of 282.43 g/mol, XLogP of 5.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine is sourced from PubChem (CID 118616228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).