N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine

C88H96F4N10O2S — CID 159895616

IUPACN-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine
SMILESCC(=O)c1cccc(/C(C)=N/c2c(C)cc(F)cc2C)n1.CC(=O)c1cccc(/C(C)=N/c2c(C)cccc2C(C)C)n1.CSc1ccccc1/N=C/c1cccc(C)n1.Cc1cccc(/C=N/c2c(C(C)C)cccc2C(C)C)n1.FC(F)(F)c1ccccc1-c1cccc(/C=N/C2CCCCC2)n1
InChIInChI=1S/C19H19F3N2.C19H22N2O.C19H24N2.C17H17FN2O.C14H14N2S/c20-19(21,22)17-11-5-4-10-16(17)18-12-6-9-15(24-18)13-23-14-7-2-1-3-8-14;1-12(2)16-9-6-8-13(3)19(16)20-14(4)17-10-7-11-18(21-17)15(5)22;1-13(2)17-10-7-11-18(14(3)4)19(17)20-12-16-9-6-8-15(5)21-16;1-10-8-14(18)9-11(2)17(10)19-12(3)15-6-5-7-16(20-15)13(4)21;1-11-6-5-7-12(16-11)10-15-13-8-3-4-9-14(13)17-2/h4-6,9-14H,1-3,7-8H2;6-12H,1-5H3;6-14H,1-5H3;5-9H,1-4H3;3-10H,1-2H3/b23-13+;20-14+;20-12+;19-12+;15-10+
InChIKeyNVHOJNMDPWDCHB-SUVSDUDWSA-N
MW1433.86 g/mol
LogP23.81
Rot. Bonds17

About N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine

N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine (PubChem CID 159895616) has the molecular formula C88H96F4N10O2S and a molecular weight of 1433.86 g/mol. Its IUPAC name is N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine
PubChem CID159895616
Molecular FormulaC88H96F4N10O2S
Molecular Weight1433.86 g/mol
Exact Mass1432.74
IUPAC NameN-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine
SMILESCC(=O)c1cccc(/C(C)=N/c2c(C)cc(F)cc2C)n1.CC(=O)c1cccc(/C(C)=N/c2c(C)cccc2C(C)C)n1.CSc1ccccc1/N=C/c1cccc(C)n1.Cc1cccc(/C=N/c2c(C(C)C)cccc2C(C)C)n1.FC(F)(F)c1ccccc1-c1cccc(/C=N/C2CCCCC2)n1
InChIInChI=1S/C19H19F3N2.C19H22N2O.C19H24N2.C17H17FN2O.C14H14N2S/c20-19(21,22)17-11-5-4-10-16(17)18-12-6-9-15(24-18)13-23-14-7-2-1-3-8-14;1-12(2)16-9-6-8-13(3)19(16)20-14(4)17-10-7-11-18(21-17)15(5)22;1-13(2)17-10-7-11-18(14(3)4)19(17)20-12-16-9-6-8-15(5)21-16;1-10-8-14(18)9-11(2)17(10)19-12(3)15-6-5-7-16(20-15)13(4)21;1-11-6-5-7-12(16-11)10-15-13-8-3-4-9-14(13)17-2/h4-6,9-14H,1-3,7-8H2;6-12H,1-5H3;6-14H,1-5H3;5-9H,1-4H3;3-10H,1-2H3/b23-13+;20-14+;20-12+;19-12+;15-10+
InChIKeyNVHOJNMDPWDCHB-SUVSDUDWSA-N
XLogP23.81
TPSA160.39 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001433.86
LogP ≤ 523.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine?
The IUPAC name of N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine (CID 159895616) is N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine.
What is the SMILES notation for N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine?
The canonical SMILES for N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine is CC(=O)c1cccc(/C(C)=N/c2c(C)cc(F)cc2C)n1.CC(=O)c1cccc(/C(C)=N/c2c(C)cccc2C(C)C)n1.CSc1ccccc1/N=C/c1cccc(C)n1.Cc1cccc(/C=N/c2c(C(C)C)cccc2C(C)C)n1.FC(F)(F)c1ccccc1-c1cccc(/C=N/C2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine?
The InChIKey is NVHOJNMDPWDCHB-SUVSDUDWSA-N. The full InChI is InChI=1S/C19H19F3N2.C19H22N2O.C19H24N2.C17H17FN2O.C14H14N2S/c20-19(21,22)17-11-5-4-10-16(17)18-12-6-9-15(24-18)13-23-14-7-2-1-3-8-14;1-12(2)16-9-6-8-13(3)19(16)20-14(4)17-10-7-11-18(21-17)15(5)22;1-13(2)17-10-7-11-18(14(3)4)19(17)20-12-16-9-6-8-15(5)21-16;1-10-8-14(18)9-11(2)17(10)19-12(3)15-6-5-7-16(20-15)13(4)21;1-11-6-5-7-12(16-11)10-15-13-8-3-4-9-14(13)17-2/h4-6,9-14H,1-3,7-8H2;6-12H,1-5H3;6-14H,1-5H3;5-9H,1-4H3;3-10H,1-2H3/b23-13+;20-14+;20-12+;19-12+;15-10+.
What are the key properties of N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine?
N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine has a molecular weight of 1433.86 g/mol, XLogP of 23.81, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone;1-(6-methyl-2-pyridinyl)-N-(2-methylsulfanylphenyl)methanimine is sourced from PubChem (CID 159895616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).