1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine

C25H36FN — CID 143722128

IUPAC1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine
SMILESC=C(F)/C=C\C(=CC)C(/N=C(\C)C1(CC)CCCCC1)=C(C)\C=C/C=C\C
InChIInChI=1S/C25H36FN/c1-7-10-12-15-20(4)24(23(8-2)17-16-21(5)26)27-22(6)25(9-3)18-13-11-14-19-25/h7-8,10,12,15-17H,5,9,11,13-14,18-19H2,1-4,6H3/b10-7-,15-12-,17-16-,23-8?,24-20+,27-22+
InChIKeyFKGKIZIYLPOVRK-DHLBIJFNSA-N
MW369.57 g/mol
LogP8.20
Rot. Bonds8

About 1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine

1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine (PubChem CID 143722128) has the molecular formula C25H36FN and a molecular weight of 369.57 g/mol. Its IUPAC name is 1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine.

Molecular Properties

Compound Name1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine
PubChem CID143722128
Molecular FormulaC25H36FN
Molecular Weight369.57 g/mol
Exact Mass369.28
IUPAC Name1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine
SMILESC=C(F)/C=C\C(=CC)C(/N=C(\C)C1(CC)CCCCC1)=C(C)\C=C/C=C\C
InChIInChI=1S/C25H36FN/c1-7-10-12-15-20(4)24(23(8-2)17-16-21(5)26)27-22(6)25(9-3)18-13-11-14-19-25/h7-8,10,12,15-17H,5,9,11,13-14,18-19H2,1-4,6H3/b10-7-,15-12-,17-16-,23-8?,24-20+,27-22+
InChIKeyFKGKIZIYLPOVRK-DHLBIJFNSA-N
XLogP8.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.57
LogP ≤ 58.20
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 1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine with MolForge

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Related Compounds

N-[(E)-3-[4-(difluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methylpent-2-en-2-yl]-3-methyl-3-propylhexan-2-imine
CID 144915556
N-[(4E)-6-cyclohexyl-5-ethenyl-2-methylhepta-2,4,6-trien-3-yl]-5,5-difluorohexan-2-imine
CID 178044043
3-ethyl-11-methyl-2-[(1Z)-3-methylpenta-1,3-dienyl]-4,5,6,7,8,10,11,12-octahydro-1-benzazecine
CID 90738048
6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine
CID 170029807
(3Z)-N-[(3E,5Z)-3,6-dimethyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-8,8,10,10-tetramethyl-6,7-dimethylideneundeca-1,3-dien-5-imine
CID 173918259
(3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine
CID 145160524

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine?
The IUPAC name of 1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine (CID 143722128) is 1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine.
What is the SMILES notation for 1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine?
The canonical SMILES for 1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine is C=C(F)/C=C\C(=CC)C(/N=C(\C)C1(CC)CCCCC1)=C(C)\C=C/C=C\C.
What is the InChIKey of 1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine?
The InChIKey is FKGKIZIYLPOVRK-DHLBIJFNSA-N. The full InChI is InChI=1S/C25H36FN/c1-7-10-12-15-20(4)24(23(8-2)17-16-21(5)26)27-22(6)25(9-3)18-13-11-14-19-25/h7-8,10,12,15-17H,5,9,11,13-14,18-19H2,1-4,6H3/b10-7-,15-12-,17-16-,23-8?,24-20+,27-22+.
What are the key properties of 1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine?
1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine has a molecular weight of 369.57 g/mol, XLogP of 8.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine is sourced from PubChem (CID 143722128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).