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

C24H36FN — CID 177399268

IUPAC(2Z,4E,6Z,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
SMILESCCCC/N=C/C(F)=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C24H36FN/c1-7-8-17-26-18-23(25)21(4)12-9-11-19(2)14-15-22-20(3)13-10-16-24(22,5)6/h9,11-12,14-15,18H,7-8,10,13,16-17H2,1-6H3/b12-9+,15-14+,19-11-,23-21-,26-18+
InChIKeyOEPSMBFWSFMKFH-CVPCXCNPSA-N
MW357.56 g/mol
LogP7.69
Rot. Bonds8

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

(2Z,4E,6Z,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine (PubChem CID 177399268) has the molecular formula C24H36FN and a molecular weight of 357.56 g/mol. Its IUPAC name is (2Z,4E,6Z,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name(2Z,4E,6Z,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
PubChem CID177399268
Molecular FormulaC24H36FN
Molecular Weight357.56 g/mol
Exact Mass357.28
IUPAC Name(2Z,4E,6Z,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
SMILESCCCC/N=C/C(F)=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C24H36FN/c1-7-8-17-26-18-23(25)21(4)12-9-11-19(2)14-15-22-20(3)13-10-16-24(22,5)6/h9,11-12,14-15,18H,7-8,10,13,16-17H2,1-6H3/b12-9+,15-14+,19-11-,23-21-,26-18+
InChIKeyOEPSMBFWSFMKFH-CVPCXCNPSA-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'}

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

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Related Compounds

Retinylidene methylnitrone
CID 6438537
Retinyl-BA
CID 6443214
all-trans-Retinylidene methyl nitrone
CID 6441215
(Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine
CID 134305891
4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine
CID 155485480
(2E,4E,6E,8E)-N-butyl-3-tert-butyl-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 14078328
(2Z,4E)-3-methyl-N-propyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-imine
CID 101718035
(2Z,4E,6Z,8E)-N-butyl-3,7-difluoro-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 10545623
(2E,4E,6Z,8E)-N-butyl-7-fluoro-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 10641139
(2Z,4E,6E,8E)-N-butyl-3-fluoro-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 10759823
(2E,4Z,6E,8E)-N-butyl-5-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 11792688
(2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 101404444

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The IUPAC name of (2Z,4E,6Z,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine (CID 177399268) is (2Z,4E,6Z,8E)-N-butyl-2-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 (2Z,4E,6Z,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for (2Z,4E,6Z,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine is CCCC/N=C/C(F)=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C.
What is the InChIKey of (2Z,4E,6Z,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The InChIKey is OEPSMBFWSFMKFH-CVPCXCNPSA-N. The full InChI is InChI=1S/C24H36FN/c1-7-8-17-26-18-23(25)21(4)12-9-11-19(2)14-15-22-20(3)13-10-16-24(22,5)6/h9,11-12,14-15,18H,7-8,10,13,16-17H2,1-6H3/b12-9+,15-14+,19-11-,23-21-,26-18+.
What are the key properties of (2Z,4E,6Z,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
(2Z,4E,6Z,8E)-N-butyl-2-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 (2Z,4E,6Z,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 177399268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).