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

C25H38FN — CID 177486594

IUPAC(2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
SMILESCCCCC/N=C/C=C(C)/C(F)=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C25H38FN/c1-7-8-9-18-27-19-16-22(4)24(26)15-13-20(2)12-14-23-21(3)11-10-17-25(23,5)6/h12-16,19H,7-11,17-18H2,1-6H3/b14-12+,20-13-,22-16+,24-15-,27-19+
InChIKeySZIIPPOYEVIHJD-HERUSRBASA-N
MW371.58 g/mol
LogP8.08
Rot. Bonds9

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

(2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine (PubChem CID 177486594) has the molecular formula C25H38FN and a molecular weight of 371.58 g/mol. Its IUPAC name is (2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name(2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
PubChem CID177486594
Molecular FormulaC25H38FN
Molecular Weight371.58 g/mol
Exact Mass371.30
IUPAC Name(2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
SMILESCCCCC/N=C/C=C(C)/C(F)=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C
InChIInChI=1S/C25H38FN/c1-7-8-9-18-27-19-16-22(4)24(26)15-13-20(2)12-14-23-21(3)11-10-17-25(23,5)6/h12-16,19H,7-11,17-18H2,1-6H3/b14-12+,20-13-,22-16+,24-15-,27-19+
InChIKeySZIIPPOYEVIHJD-HERUSRBASA-N
XLogP8.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.58
LogP ≤ 58.08
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 (2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine with MolForge

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(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
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(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
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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The IUPAC name of (2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine (CID 177486594) is (2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-N-pentyl-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)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for (2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine is CCCCC/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)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The InChIKey is SZIIPPOYEVIHJD-HERUSRBASA-N. The full InChI is InChI=1S/C25H38FN/c1-7-8-9-18-27-19-16-22(4)24(26)15-13-20(2)12-14-23-21(3)11-10-17-25(23,5)6/h12-16,19H,7-11,17-18H2,1-6H3/b14-12+,20-13-,22-16+,24-15-,27-19+.
What are the key properties of (2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
(2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine has a molecular weight of 371.58 g/mol, XLogP of 8.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 177486594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).