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

C39H55N3 — CID 173243005

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

1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine (PubChem CID 173243005) has the molecular formula C39H55N3 and a molecular weight of 565.89 g/mol. Its IUPAC name is 1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine.

Molecular Properties

• Compound Name: 1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine
• PubChem CID: 173243005
• Molecular Formula: C39H55N3
• Molecular Weight: 565.89 g/mol
• Exact Mass: 565.44
• IUPAC Name: 1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine
• SMILES: CCCc1cc(CCC)c(/N=C(\C)c2cccc(/C(C)=N/c3c(CCC)cc(CCC)cc3CCC)n2)c(CCC)c1
• InChI: InChI=1S/C39H55N3/c1-9-16-30-24-32(18-11-3)38(33(25-30)19-12-4)40-28(7)36-22-15-23-37(42-36)29(8)41-39-34(20-13-5)26-31(17-10-2)27-35(39)21-14-6/h15,22-27H,9-14,16-21H2,1-8H3/b40-28+,41-29+
• InChIKey: ZXQMWZKIZYKNLJ-ICKILNQYSA-N
• XLogP: 11.08
• TPSA: 37.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.89
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine?

The IUPAC name of 1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine (CID 173243005) is 1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine.

What is the SMILES notation for 1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine?

The canonical SMILES for 1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine is CCCc1cc(CCC)c(/N=C(\C)c2cccc(/C(C)=N/c3c(CCC)cc(CCC)cc3CCC)n2)c(CCC)c1.

What is the InChIKey of 1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine?

The InChIKey is ZXQMWZKIZYKNLJ-ICKILNQYSA-N. The full InChI is InChI=1S/C39H55N3/c1-9-16-30-24-32(18-11-3)38(33(25-30)19-12-4)40-28(7)36-22-15-23-37(42-36)29(8)41-39-34(20-13-5)26-31(17-10-2)27-35(39)21-14-6/h15,22-27H,9-14,16-21H2,1-8H3/b40-28+,41-29+.

What are the key properties of 1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine?

1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine has a molecular weight of 565.89 g/mol, XLogP of 11.08, 16 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-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine is sourced from PubChem (CID 173243005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).