(3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine

C25H39N — CID 102134296

IUPAC(3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine
SMILESCCCC/N=C(C)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C25H39N/c1-8-9-18-26-23(5)19-21(3)13-10-12-20(2)15-16-24-22(4)14-11-17-25(24,6)7/h10,12-13,15-16,19H,8-9,11,14,17-18H2,1-7H3/b13-10+,16-15+,20-12+,21-19+,26-23+
InChIKeyCGJGHNMVPJYHPH-PTCATPILSA-N
MW353.59 g/mol
LogP7.78
Rot. Bonds8

About (3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine

(3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine (PubChem CID 102134296) has the molecular formula C25H39N and a molecular weight of 353.59 g/mol. Its IUPAC name is (3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine.

Molecular Properties

Compound Name(3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine
PubChem CID102134296
Molecular FormulaC25H39N
Molecular Weight353.59 g/mol
Exact Mass353.31
IUPAC Name(3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine
SMILESCCCC/N=C(C)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C25H39N/c1-8-9-18-26-23(5)19-21(3)13-10-12-20(2)15-16-24-22(4)14-11-17-25(24,6)7/h10,12-13,15-16,19H,8-9,11,14,17-18H2,1-7H3/b13-10+,16-15+,20-12+,21-19+,26-23+
InChIKeyCGJGHNMVPJYHPH-PTCATPILSA-N
XLogP7.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine?
The IUPAC name of (3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine (CID 102134296) is (3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine.
What is the SMILES notation for (3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine?
The canonical SMILES for (3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine is CCCC/N=C(C)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of (3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine?
The InChIKey is CGJGHNMVPJYHPH-PTCATPILSA-N. The full InChI is InChI=1S/C25H39N/c1-8-9-18-26-23(5)19-21(3)13-10-12-20(2)15-16-24-22(4)14-11-17-25(24,6)7/h10,12-13,15-16,19H,8-9,11,14,17-18H2,1-7H3/b13-10+,16-15+,20-12+,21-19+,26-23+.
What are the key properties of (3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine?
(3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine has a molecular weight of 353.59 g/mol, XLogP of 7.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine is sourced from PubChem (CID 102134296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).