cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine

C29H35CoN3 — CID 87859497

IUPACcobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C)cccc2C(C)C)n1.[Co]
InChIInChI=1S/C29H35N3.Co/c1-18(2)24-14-9-12-20(5)28(24)30-22(7)26-16-11-17-27(32-26)23(8)31-29-21(6)13-10-15-25(29)19(3)4;/h9-19H,1-8H3;/b30-22+,31-23+;
InChIKeyTVTHMJHUUOOJML-XPEPKMRYSA-N
MW484.55 g/mol
LogP8.22
Rot. Bonds6

About cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine

cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine (PubChem CID 87859497) has the molecular formula C29H35CoN3 and a molecular weight of 484.55 g/mol. Its IUPAC name is cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine.

Molecular Properties

Compound Namecobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine
PubChem CID87859497
Molecular FormulaC29H35CoN3
Molecular Weight484.55 g/mol
Exact Mass484.22
IUPAC Namecobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C)cccc2C(C)C)n1.[Co]
InChIInChI=1S/C29H35N3.Co/c1-18(2)24-14-9-12-20(5)28(24)30-22(7)26-16-11-17-27(32-26)23(8)31-29-21(6)13-10-15-25(29)19(3)4;/h9-19H,1-8H3;/b30-22+,31-23+;
InChIKeyTVTHMJHUUOOJML-XPEPKMRYSA-N
XLogP8.22
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron
CID 16726514
1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2-methoxy-6-methylphenyl)ethanimine
CID 102457865
N-(2-chloro-6-methylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloroiron
CID 161432910
dichlorocobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 21133068
cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 158415061
chromium;N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 175164835
1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride
CID 87925983
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride
CID 173243974
N,N'-bis[2,6-di(propan-2-yl)phenyl]-1,4-bis[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]butane-1,4-diimine
CID 139120109
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
dichloroiron;methane;bis(1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)ethanimine);oxolane
CID 160697014
cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride
CID 173243944

Frequently Asked Questions

What is the IUPAC name of cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine?
The IUPAC name of cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine (CID 87859497) is cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine.
What is the SMILES notation for cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine?
The canonical SMILES for cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine is C/C(=N\c1c(C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C)cccc2C(C)C)n1.[Co].
What is the InChIKey of cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine?
The InChIKey is TVTHMJHUUOOJML-XPEPKMRYSA-N. The full InChI is InChI=1S/C29H35N3.Co/c1-18(2)24-14-9-12-20(5)28(24)30-22(7)26-16-11-17-27(32-26)23(8)31-29-21(6)13-10-15-25(29)19(3)4;/h9-19H,1-8H3;/b30-22+,31-23+;.
What are the key properties of cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine?
cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine has a molecular weight of 484.55 g/mol, XLogP of 8.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine is sourced from PubChem (CID 87859497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).