cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride

C22H33Cl3CoN3 — CID 173244063

IUPACcobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride
SMILESC/C(=N\C1CCCCC1)c1cc(C)cc(/C(C)=N/C2CCCCC2)n1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C22H33N3.3ClH.Co/c1-16-14-21(17(2)23-19-10-6-4-7-11-19)25-22(15-16)18(3)24-20-12-8-5-9-13-20;;;;/h14-15,19-20H,4-13H2,1-3H3;3*1H;/q;;;;+3/p-3/b23-17+,24-18+;;;;
InChIKeyAGXZXJFAQVOQHM-RZLRLKFYSA-K
MW504.82 g/mol
LogP-3.32
Rot. Bonds4

About cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride

cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride (PubChem CID 173244063) has the molecular formula C22H33Cl3CoN3 and a molecular weight of 504.82 g/mol. Its IUPAC name is cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride.

Molecular Properties

Compound Namecobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride
PubChem CID173244063
Molecular FormulaC22H33Cl3CoN3
Molecular Weight504.82 g/mol
Exact Mass503.11
IUPAC Namecobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride
SMILESC/C(=N\C1CCCCC1)c1cc(C)cc(/C(C)=N/C2CCCCC2)n1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C22H33N3.3ClH.Co/c1-16-14-21(17(2)23-19-10-6-4-7-11-19)25-22(15-16)18(3)24-20-12-8-5-9-13-20;;;;/h14-15,19-20H,4-13H2,1-3H3;3*1H;/q;;;;+3/p-3/b23-17+,24-18+;;;;
InChIKeyAGXZXJFAQVOQHM-RZLRLKFYSA-K
XLogP-3.32
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.82
LogP ≤ 5-3.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride with MolForge

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Related Compounds

1-[4-chloro-6-[N-(2,6-dicyclohexyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,6-dicyclohexyl-4-methylphenyl)ethanimine;vanadium;trichloride
CID 173243535
N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride
CID 173243697
cobalt(3+);1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;trichloride
CID 173244755
N-cyclohexyl-3-methylbut-3-en-2-imine
CID 86006546
cobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride
CID 173244057
iron(2+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[C-methyl-N-[4-methyl-2,6-di(propan-2-yl)phenyl]carbonimidoyl]-2-pyridinyl]ethanimine;dichloride
CID 173244477
N-cyclohexylethanimidoyl fluoride
CID 24977694
N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine
CID 20702004
1-[4-chloro-6-[C-methyl-N-(2,4,6-tricyclohexylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tricyclohexylphenyl)ethanimine;vanadium;trichloride
CID 173243190
1-[N'-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(3,5-dimethylphenyl)thiourea
CID 17089177
1-[6-[C-methyl-N-[(2S)-2-propan-2-ylcyclohexyl]carbonimidoyl]-2-pyridinyl]-N-[(2R)-2-propan-2-ylcyclohexyl]ethanimine
CID 140875240
1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine
CID 116515705

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride?
The IUPAC name of cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride (CID 173244063) is cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride.
What is the SMILES notation for cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride?
The canonical SMILES for cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride is C/C(=N\C1CCCCC1)c1cc(C)cc(/C(C)=N/C2CCCCC2)n1.[Cl-].[Cl-].[Cl-].[Co+3].
What is the InChIKey of cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride?
The InChIKey is AGXZXJFAQVOQHM-RZLRLKFYSA-K. The full InChI is InChI=1S/C22H33N3.3ClH.Co/c1-16-14-21(17(2)23-19-10-6-4-7-11-19)25-22(15-16)18(3)24-20-12-8-5-9-13-20;;;;/h14-15,19-20H,4-13H2,1-3H3;3*1H;/q;;;;+3/p-3/b23-17+,24-18+;;;;.
What are the key properties of cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride?
cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride has a molecular weight of 504.82 g/mol, XLogP of -3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride is sourced from PubChem (CID 173244063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).