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

C24H36FN — CID 177436022

IUPAC(2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
SMILESCCCC/N=C/C=C(C)/C(F)=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C24H36FN/c1-7-8-17-26-18-15-21(4)23(25)14-12-19(2)11-13-22-20(3)10-9-16-24(22,5)6/h11-15,18H,7-10,16-17H2,1-6H3/b13-11+,19-12-,21-15+,23-14-,26-18+
InChIKeyVWDBDORVSNMWNX-BKBFPORFSA-N
MW357.56 g/mol
LogP7.69
Rot. Bonds8

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

(2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine (PubChem CID 177436022) has the molecular formula C24H36FN and a molecular weight of 357.56 g/mol. Its IUPAC name is (2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name(2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
PubChem CID177436022
Molecular FormulaC24H36FN
Molecular Weight357.56 g/mol
Exact Mass357.28
IUPAC Name(2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
SMILESCCCC/N=C/C=C(C)/C(F)=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C24H36FN/c1-7-8-17-26-18-15-21(4)23(25)14-12-19(2)11-13-22-20(3)10-9-16-24(22,5)6/h11-15,18H,7-10,16-17H2,1-6H3/b13-11+,19-12-,21-15+,23-14-,26-18+
InChIKeyVWDBDORVSNMWNX-BKBFPORFSA-N
XLogP7.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.56
LogP ≤ 57.69
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The IUPAC name of (2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine (CID 177436022) is (2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for (2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for (2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine is CCCC/N=C/C=C(C)/C(F)=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C.
What is the InChIKey of (2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The InChIKey is VWDBDORVSNMWNX-BKBFPORFSA-N. The full InChI is InChI=1S/C24H36FN/c1-7-8-17-26-18-15-21(4)23(25)14-12-19(2)11-13-22-20(3)10-9-16-24(22,5)6/h11-15,18H,7-10,16-17H2,1-6H3/b13-11+,19-12-,21-15+,23-14-,26-18+.
What are the key properties of (2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
(2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine has a molecular weight of 357.56 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z,8E)-N-butyl-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 177436022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).