1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine

C28H30F3N3 — CID 58927853

IUPAC1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1C)c1cc(C(F)(F)F)cc(/C(C)=N/c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C28H30F3N3/c1-15-9-17(3)26(18(4)10-15)32-21(7)24-13-23(28(29,30)31)14-25(34-24)22(8)33-27-19(5)11-16(2)12-20(27)6/h9-14H,1-8H3/b32-21+,33-22+
InChIKeySVYGDOCYTWMGNU-NXQGAYFCSA-N
MW465.56 g/mol
LogP8.23
Rot. Bonds4

About 1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine

1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine (PubChem CID 58927853) has the molecular formula C28H30F3N3 and a molecular weight of 465.56 g/mol. Its IUPAC name is 1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine.

Molecular Properties

Compound Name1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine
PubChem CID58927853
Molecular FormulaC28H30F3N3
Molecular Weight465.56 g/mol
Exact Mass465.24
IUPAC Name1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1C)c1cc(C(F)(F)F)cc(/C(C)=N/c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C28H30F3N3/c1-15-9-17(3)26(18(4)10-15)32-21(7)24-13-23(28(29,30)31)14-25(34-24)22(8)33-27-19(5)11-16(2)12-20(27)6/h9-14H,1-8H3/b32-21+,33-22+
InChIKeySVYGDOCYTWMGNU-NXQGAYFCSA-N
XLogP8.23
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine?
The IUPAC name of 1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine (CID 58927853) is 1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine.
What is the SMILES notation for 1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine?
The canonical SMILES for 1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine is C/C(=N\c1c(C)cc(C)cc1C)c1cc(C(F)(F)F)cc(/C(C)=N/c2c(C)cc(C)cc2C)n1.
What is the InChIKey of 1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine?
The InChIKey is SVYGDOCYTWMGNU-NXQGAYFCSA-N. The full InChI is InChI=1S/C28H30F3N3/c1-15-9-17(3)26(18(4)10-15)32-21(7)24-13-23(28(29,30)31)14-25(34-24)22(8)33-27-19(5)11-16(2)12-20(27)6/h9-14H,1-8H3/b32-21+,33-22+.
What are the key properties of 1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine?
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine has a molecular weight of 465.56 g/mol, XLogP of 8.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-(trifluoromethyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine is sourced from PubChem (CID 58927853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).