(2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine

C23H35N — CID 89206355

IUPAC(2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
SMILESCCC/N=C/C=C(C)/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C23H35N/c1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h8,10-11,13-15,18H,7,9,12,16-17H2,1-6H3/b11-8-,14-13+,19-10+,20-15+,24-18+
InChIKeyVKJKYPVMABNYAK-GJOTYFMCSA-N
MW325.54 g/mol
LogP7.00
Rot. Bonds7

About (2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine

(2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine (PubChem CID 89206355) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is (2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name(2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
PubChem CID89206355
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Name(2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
SMILESCCC/N=C/C=C(C)/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C23H35N/c1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h8,10-11,13-15,18H,7,9,12,16-17H2,1-6H3/b11-8-,14-13+,19-10+,20-15+,24-18+
InChIKeyVKJKYPVMABNYAK-GJOTYFMCSA-N
XLogP7.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-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 (2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The IUPAC name of (2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine (CID 89206355) is (2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for (2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for (2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine is CCC/N=C/C=C(C)/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C.
What is the InChIKey of (2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The InChIKey is VKJKYPVMABNYAK-GJOTYFMCSA-N. The full InChI is InChI=1S/C23H35N/c1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h8,10-11,13-15,18H,7,9,12,16-17H2,1-6H3/b11-8-,14-13+,19-10+,20-15+,24-18+.
What are the key properties of (2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
(2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine has a molecular weight of 325.54 g/mol, XLogP of 7.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 89206355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).