[1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine

C23H38FN — CID 153380788

IUPAC[1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine
SMILES[H]/N=C/C1(/C(C)=C/C=C(\C)C(C)(C)F)CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C23H38FN/c1-17-6-10-20(11-7-17)21-12-14-23(16-25,15-13-21)19(3)9-8-18(2)22(4,5)24/h8-9,16-17,20-21,25H,6-7,10-15H2,1-5H3/b18-8+,19-9+,25-16+
InChIKeySIWGJILBJDSXQP-BAUVBNTHSA-N
MW347.56 g/mol
LogP7.28
Rot. Bonds5

About [1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine

[1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine (PubChem CID 153380788) has the molecular formula C23H38FN and a molecular weight of 347.56 g/mol. Its IUPAC name is [1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine.

Molecular Properties

Compound Name[1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine
PubChem CID153380788
Molecular FormulaC23H38FN
Molecular Weight347.56 g/mol
Exact Mass347.30
IUPAC Name[1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine
SMILES[H]/N=C/C1(/C(C)=C/C=C(\C)C(C)(C)F)CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C23H38FN/c1-17-6-10-20(11-7-17)21-12-14-23(16-25,15-13-21)19(3)9-8-18(2)22(4,5)24/h8-9,16-17,20-21,25H,6-7,10-15H2,1-5H3/b18-8+,19-9+,25-16+
InChIKeySIWGJILBJDSXQP-BAUVBNTHSA-N
XLogP7.28
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.56
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-Fluoro-4-methylpentan-2-yl)-2-methyl-3-prop-1-en-2-ylcycloprop-2-en-1-yl]methanimine
CID 156481072
(1,4a-Dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthren-1-yl)methanimine
CID 89120077
[4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine
CID 89408032
19-[3-(13-Cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine
CID 123769379
(2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine
CID 131994387
(3S,5R)-4-tert-butyl-3-[[(1S,5R,6R)-5-[[(1R)-1-ethyl-2-prop-1-en-2-ylcycloprop-2-en-1-yl]methyl]-2,2,6-trimethylcyclohexyl]methyl]-4,5,6-trimethylhept-6-en-1-imine
CID 142408448
[(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine;ethane
CID 143402228
[5-[(1E)-2-(2-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-3-methylbuta-1,3-dienyl]-1-ethenyl-2,4-dimethylcyclohepta-3,5-dien-1-yl]methanimine
CID 146221058
(E,3R)-8-[(1S)-3,3-dimethylcyclohexyl]-2,3,4,4,5-pentamethylnon-7-en-1-imine
CID 173909149
[(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine
CID 143402229

Frequently Asked Questions

What is the IUPAC name of [1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine?
The IUPAC name of [1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine (CID 153380788) is [1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine.
What is the SMILES notation for [1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine?
The canonical SMILES for [1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine is [H]/N=C/C1(/C(C)=C/C=C(\C)C(C)(C)F)CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of [1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine?
The InChIKey is SIWGJILBJDSXQP-BAUVBNTHSA-N. The full InChI is InChI=1S/C23H38FN/c1-17-6-10-20(11-7-17)21-12-14-23(16-25,15-13-21)19(3)9-8-18(2)22(4,5)24/h8-9,16-17,20-21,25H,6-7,10-15H2,1-5H3/b18-8+,19-9+,25-16+.
What are the key properties of [1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine?
[1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine has a molecular weight of 347.56 g/mol, XLogP of 7.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine is sourced from PubChem (CID 153380788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).