(E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine

C26H40N2 — CID 54606180

IUPAC(E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine
SMILESCC1=C(/C=C\C(C)=N\N=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1
InChIInChI=1S/C26H40N2/c1-19-11-9-17-25(5,6)23(19)15-13-21(3)27-28-22(4)14-16-24-20(2)12-10-18-26(24,7)8/h13-16H,9-12,17-18H2,1-8H3/b15-13-,16-14+,27-21+,28-22-
InChIKeySQYSFXIDGKWUEA-OXNPOLRYSA-N
MW380.62 g/mol
LogP7.99
Rot. Bonds5

About (E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine

(E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine (PubChem CID 54606180) has the molecular formula C26H40N2 and a molecular weight of 380.62 g/mol. Its IUPAC name is (E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine.

Molecular Properties

Compound Name(E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine
PubChem CID54606180
Molecular FormulaC26H40N2
Molecular Weight380.62 g/mol
Exact Mass380.32
IUPAC Name(E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine
SMILESCC1=C(/C=C\C(C)=N\N=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1
InChIInChI=1S/C26H40N2/c1-19-11-9-17-25(5,6)23(19)15-13-21(3)27-28-22(4)14-16-24-20(2)12-10-18-26(24,7)8/h13-16H,9-12,17-18H2,1-8H3/b15-13-,16-14+,27-21+,28-22-
InChIKeySQYSFXIDGKWUEA-OXNPOLRYSA-N
XLogP7.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine with MolForge

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Related Compounds

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CID 102478787
2-Diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene
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(2Z,4Z,6E,8E)-N-[(Z)-[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 9571173
(E,2E,4E,6E,8Z)-N-[(E)-[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 54609304
5-Diazo-1-[[1-[(5-diazocyclohexa-1,3-dien-1-yl)methyl]cyclohexa-2,4-dien-1-yl]methyl]cyclohexa-1,3-diene
CID 87858650
3,7-Dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,7-trien-5-imine
CID 91041769
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CID 130340232
(4Z)-2,6-dimethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-4,6-dien-3-imine
CID 164152765
(3E,5E,7E)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-imine
CID 169677052
(4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine
CID 170258495
N-[[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 228549

Frequently Asked Questions

What is the IUPAC name of (E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine?
The IUPAC name of (E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine (CID 54606180) is (E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine.
What is the SMILES notation for (E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine?
The canonical SMILES for (E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine is CC1=C(/C=C\C(C)=N\N=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1.
What is the InChIKey of (E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine?
The InChIKey is SQYSFXIDGKWUEA-OXNPOLRYSA-N. The full InChI is InChI=1S/C26H40N2/c1-19-11-9-17-25(5,6)23(19)15-13-21(3)27-28-22(4)14-16-24-20(2)12-10-18-26(24,7)8/h13-16H,9-12,17-18H2,1-8H3/b15-13-,16-14+,27-21+,28-22-.
What are the key properties of (E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine?
(E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine has a molecular weight of 380.62 g/mol, XLogP of 7.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,Z)-4-(2,6,6-trimethylcyclohexen-1-yl)-N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]but-3-en-2-imine is sourced from PubChem (CID 54606180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).