N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine

C25H27N3 — CID 10962075

IUPACN-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine
SMILESCc1cc(C)c(/N=C/c2cccc(/C=N/c3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C25H27N3/c1-16-10-18(3)24(19(4)11-16)26-14-22-8-7-9-23(28-22)15-27-25-20(5)12-17(2)13-21(25)6/h7-15H,1-6H3/b26-14+,27-15+
InChIKeyMGXLLKRJALICOZ-CIOBDNPFSA-N
MW369.51 g/mol
LogP6.43
Rot. Bonds4

About N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine

N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine (PubChem CID 10962075) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine
PubChem CID10962075
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC NameN-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine
SMILESCc1cc(C)c(/N=C/c2cccc(/C=N/c3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C25H27N3/c1-16-10-18(3)24(19(4)11-16)26-14-22-8-7-9-23(28-22)15-27-25-20(5)12-17(2)13-21(25)6/h7-15H,1-6H3/b26-14+,27-15+
InChIKeyMGXLLKRJALICOZ-CIOBDNPFSA-N
XLogP6.43
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.43
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 N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The IUPAC name of N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine (CID 10962075) is N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine.
What is the SMILES notation for N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The canonical SMILES for N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine is Cc1cc(C)c(/N=C/c2cccc(/C=N/c3c(C)cc(C)cc3C)n2)c(C)c1.
What is the InChIKey of N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The InChIKey is MGXLLKRJALICOZ-CIOBDNPFSA-N. The full InChI is InChI=1S/C25H27N3/c1-16-10-18(3)24(19(4)11-16)26-14-22-8-7-9-23(28-22)15-27-25-20(5)12-17(2)13-21(25)6/h7-15H,1-6H3/b26-14+,27-15+.
What are the key properties of N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine?
N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine has a molecular weight of 369.51 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine is sourced from PubChem (CID 10962075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).