cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

C25H27CoN3 — CID 87860468

IUPACcobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
SMILESC/C(=N\c1ccc(C)cc1C)c1cccc(/C(C)=N/c2ccc(C)cc2C)n1.[Co]
InChIInChI=1S/C25H27N3.Co/c1-16-10-12-22(18(3)14-16)26-20(5)24-8-7-9-25(28-24)21(6)27-23-13-11-17(2)15-19(23)4;/h7-15H,1-6H3;/b26-20+,27-21+;
InChIKeyHROPLOTZGONQKX-RNVGWGFCSA-N
MW428.45 g/mol
LogP6.59
Rot. Bonds4

About cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (PubChem CID 87860468) has the molecular formula C25H27CoN3 and a molecular weight of 428.45 g/mol. Its IUPAC name is cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound Namecobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
PubChem CID87860468
Molecular FormulaC25H27CoN3
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Namecobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
SMILESC/C(=N\c1ccc(C)cc1C)c1cccc(/C(C)=N/c2ccc(C)cc2C)n1.[Co]
InChIInChI=1S/C25H27N3.Co/c1-16-10-12-22(18(3)14-16)26-20(5)24-8-7-9-25(28-24)21(6)27-23-13-11-17(2)15-19(23)4;/h7-15H,1-6H3;/b26-20+,27-21+;
InChIKeyHROPLOTZGONQKX-RNVGWGFCSA-N
XLogP6.59
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 56.59
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 cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The IUPAC name of cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (CID 87860468) is cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The canonical SMILES for cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is C/C(=N\c1ccc(C)cc1C)c1cccc(/C(C)=N/c2ccc(C)cc2C)n1.[Co].
What is the InChIKey of cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The InChIKey is HROPLOTZGONQKX-RNVGWGFCSA-N. The full InChI is InChI=1S/C25H27N3.Co/c1-16-10-12-22(18(3)14-16)26-20(5)24-8-7-9-25(28-24)21(6)27-23-13-11-17(2)15-19(23)4;/h7-15H,1-6H3;/b26-20+,27-21+;.
What are the key properties of cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine has a molecular weight of 428.45 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 87860468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).