(2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine

C23H35N3 — CID 123916041

IUPAC(2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine
SMILES[H]/N=C/C/C=C\C/C=C/C(=N\[H])C1=C(C(/C=C/CCCC)=N/[H])CCCCCC1
InChIInChI=1S/C23H35N3/c1-2-3-4-12-17-22(25)20-15-10-7-8-11-16-21(20)23(26)18-13-6-5-9-14-19-24/h5,9,12-13,17-19,24-26H,2-4,6-8,10-11,14-16H2,1H3/b9-5-,17-12+,18-13+,21-20?,24-19+,25-22+,26-23+
InChIKeyFDBNELDHPJUFKQ-XOZZXIQISA-N
MW353.55 g/mol
LogP6.97
Rot. Bonds11

About (2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine

(2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine (PubChem CID 123916041) has the molecular formula C23H35N3 and a molecular weight of 353.55 g/mol. Its IUPAC name is (2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine.

Molecular Properties

Compound Name(2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine
PubChem CID123916041
Molecular FormulaC23H35N3
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC Name(2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine
SMILES[H]/N=C/C/C=C\C/C=C/C(=N\[H])C1=C(C(/C=C/CCCC)=N/[H])CCCCCC1
InChIInChI=1S/C23H35N3/c1-2-3-4-12-17-22(25)20-15-10-7-8-11-16-21(20)23(26)18-13-6-5-9-14-19-24/h5,9,12-13,17-19,24-26H,2-4,6-8,10-11,14-16H2,1H3/b9-5-,17-12+,18-13+,21-20?,24-19+,25-22+,26-23+
InChIKeyFDBNELDHPJUFKQ-XOZZXIQISA-N
XLogP6.97
TPSA71.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-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

Eicoseneimine
CID 129695036
(E)-octadec-9-en-1-imine
CID 19602050
Octadec-2-en-1-imine
CID 53791553
Octadec-3-en-1-imine
CID 57154526
3-Cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene
CID 67512196
3-Cyclododeca-1,3,5-trien-1-yl-1,2-diazacyclododeca-2,10,12-triene
CID 67674053
(5Z)-5-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-2-methylcyclopent-2-en-1-imine
CID 89697525
(2Z)-2-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-4-methylcyclopent-3-en-1-imine
CID 90128358
(3Z)-9-methyl-2-N-(4-methyldeca-2,3,8-trienyl)nonadeca-3,9,18-triene-2,14-diimine
CID 123267723
(2Z)-2-ethylidenehexane-1,3-diimine
CID 123483792
7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine
CID 123758535
(Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine
CID 123863376

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine?
The IUPAC name of (2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine (CID 123916041) is (2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine.
What is the SMILES notation for (2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine?
The canonical SMILES for (2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine is [H]/N=C/C/C=C\C/C=C/C(=N\[H])C1=C(C(/C=C/CCCC)=N/[H])CCCCCC1.
What is the InChIKey of (2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine?
The InChIKey is FDBNELDHPJUFKQ-XOZZXIQISA-N. The full InChI is InChI=1S/C23H35N3/c1-2-3-4-12-17-22(25)20-15-10-7-8-11-16-21(20)23(26)18-13-6-5-9-14-19-24/h5,9,12-13,17-19,24-26H,2-4,6-8,10-11,14-16H2,1H3/b9-5-,17-12+,18-13+,21-20?,24-19+,25-22+,26-23+.
What are the key properties of (2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine?
(2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine has a molecular weight of 353.55 g/mol, XLogP of 6.97, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine is sourced from PubChem (CID 123916041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).