(Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine

C25H35N3 — CID 126495651

IUPAC(Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine
SMILESC=C/C=C\C=C(C)\C(C)=C\C=C(/C=C)CN1CCN(C(/C=C\C)=N/C=C)CC1
InChIInChI=1S/C25H35N3/c1-7-11-12-14-22(5)23(6)15-16-24(9-3)21-27-17-19-28(20-18-27)25(13-8-2)26-10-4/h7-16H,1,3-4,17-21H2,2,5-6H3/b12-11-,13-8-,22-14+,23-15+,24-16+,26-25+
InChIKeyUGEPCKLKCLNNCB-UUQIIKTDSA-N
MW377.58 g/mol
LogP5.47
Rot. Bonds9

About (Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine

(Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine (PubChem CID 126495651) has the molecular formula C25H35N3 and a molecular weight of 377.58 g/mol. Its IUPAC name is (Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine
PubChem CID126495651
Molecular FormulaC25H35N3
Molecular Weight377.58 g/mol
Exact Mass377.28
IUPAC Name(Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine
SMILESC=C/C=C\C=C(C)\C(C)=C\C=C(/C=C)CN1CCN(C(/C=C\C)=N/C=C)CC1
InChIInChI=1S/C25H35N3/c1-7-11-12-14-22(5)23(6)15-16-24(9-3)21-27-17-19-28(20-18-27)25(13-8-2)26-10-4/h7-16H,1,3-4,17-21H2,2,5-6H3/b12-11-,13-8-,22-14+,23-15+,24-16+,26-25+
InChIKeyUGEPCKLKCLNNCB-UUQIIKTDSA-N
XLogP5.47
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.58
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine?
The IUPAC name of (Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine (CID 126495651) is (Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine is C=C/C=C\C=C(C)\C(C)=C\C=C(/C=C)CN1CCN(C(/C=C\C)=N/C=C)CC1.
What is the InChIKey of (Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine?
The InChIKey is UGEPCKLKCLNNCB-UUQIIKTDSA-N. The full InChI is InChI=1S/C25H35N3/c1-7-11-12-14-22(5)23(6)15-16-24(9-3)21-27-17-19-28(20-18-27)25(13-8-2)26-10-4/h7-16H,1,3-4,17-21H2,2,5-6H3/b12-11-,13-8-,22-14+,23-15+,24-16+,26-25+.
What are the key properties of (Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine?
(Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine has a molecular weight of 377.58 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine is sourced from PubChem (CID 126495651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).