(2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine

C42H69N — CID 146572259

IUPAC(2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine
SMILESCC1=C(CCC(C)(C)C/C=C/C(C)(C)CC/N=C/C=C/C=C/C=C(C)/C=C/C2(C)C(C)CCCC2(C)C)C(C)(C)CCC1
InChIInChI=1S/C42H69N/c1-34(23-30-42(12)36(3)22-18-28-41(42,10)11)20-15-13-14-16-32-43-33-31-39(6,7)26-19-25-38(4,5)29-24-37-35(2)21-17-27-40(37,8)9/h13-16,19-20,23,26,30,32,36H,17-18,21-22,24-25,27-29,31,33H2,1-12H3/b15-13+,16-14+,26-19+,30-23+,34-20+,43-32+
InChIKeyPKWITJSBAPMFIV-IHVPUWSQSA-N
MW588.02 g/mol
LogP13.22
Rot. Bonds14

About (2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine

(2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine (PubChem CID 146572259) has the molecular formula C42H69N and a molecular weight of 588.02 g/mol. Its IUPAC name is (2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name(2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine
PubChem CID146572259
Molecular FormulaC42H69N
Molecular Weight588.02 g/mol
Exact Mass587.54
IUPAC Name(2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine
SMILESCC1=C(CCC(C)(C)C/C=C/C(C)(C)CC/N=C/C=C/C=C/C=C(C)/C=C/C2(C)C(C)CCCC2(C)C)C(C)(C)CCC1
InChIInChI=1S/C42H69N/c1-34(23-30-42(12)36(3)22-18-28-41(42,10)11)20-15-13-14-16-32-43-33-31-39(6,7)26-19-25-38(4,5)29-24-37-35(2)21-17-27-40(37,8)9/h13-16,19-20,23,26,30,32,36H,17-18,21-22,24-25,27-29,31,33H2,1-12H3/b15-13+,16-14+,26-19+,30-23+,34-20+,43-32+
InChIKeyPKWITJSBAPMFIV-IHVPUWSQSA-N
XLogP13.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.02
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine?
The IUPAC name of (2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine (CID 146572259) is (2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for (2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for (2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine is CC1=C(CCC(C)(C)C/C=C/C(C)(C)CC/N=C/C=C/C=C/C=C(C)/C=C/C2(C)C(C)CCCC2(C)C)C(C)(C)CCC1.
What is the InChIKey of (2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine?
The InChIKey is PKWITJSBAPMFIV-IHVPUWSQSA-N. The full InChI is InChI=1S/C42H69N/c1-34(23-30-42(12)36(3)22-18-28-41(42,10)11)20-15-13-14-16-32-43-33-31-39(6,7)26-19-25-38(4,5)29-24-37-35(2)21-17-27-40(37,8)9/h13-16,19-20,23,26,30,32,36H,17-18,21-22,24-25,27-29,31,33H2,1-12H3/b15-13+,16-14+,26-19+,30-23+,34-20+,43-32+.
What are the key properties of (2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine?
(2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine has a molecular weight of 588.02 g/mol, XLogP of 13.22, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-7-methyl-9-(1,2,2,6-tetramethylcyclohexyl)-N-[(E)-3,3,7,7-tetramethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-enyl]nona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 146572259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).