cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride

C16H25Cl2CoN3 — CID 173243523

IUPACcobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride
SMILESC/C(=N\C(C)C)c1cc(C)cc(/C(C)=N/C(C)C)n1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C16H25N3.2ClH.Co/c1-10(2)17-13(6)15-8-12(5)9-16(19-15)14(7)18-11(3)4;;;/h8-11H,1-7H3;2*1H;/q;;;+2/p-2/b17-13+,18-14+;;;
InChIKeyDFIFDHKEQPBEPP-SQOWISFMSA-L
MW389.24 g/mol
LogP-2.17
Rot. Bonds4

About cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride

cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride (PubChem CID 173243523) has the molecular formula C16H25Cl2CoN3 and a molecular weight of 389.24 g/mol. Its IUPAC name is cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride.

Molecular Properties

Compound Namecobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride
PubChem CID173243523
Molecular FormulaC16H25Cl2CoN3
Molecular Weight389.24 g/mol
Exact Mass388.08
IUPAC Namecobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride
SMILESC/C(=N\C(C)C)c1cc(C)cc(/C(C)=N/C(C)C)n1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C16H25N3.2ClH.Co/c1-10(2)17-13(6)15-8-12(5)9-16(19-15)14(7)18-11(3)4;;;/h8-11H,1-7H3;2*1H;/q;;;+2/p-2/b17-13+,18-14+;;;
InChIKeyDFIFDHKEQPBEPP-SQOWISFMSA-L
XLogP-2.17
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 5-2.17
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

iron;bis(1-[6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine)
CID 139126659
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
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
cobalt(3+);1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;trichloride
CID 173244755
1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride
CID 173244518
1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride
CID 173242783
cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride
CID 173244063
4-methyl-N'-propan-2-ylpyridine-2-carboximidamide
CID 63839801
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-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride
CID 173244057
cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride
CID 173244594
N-(2,6-dipropylphenyl)-1-[6-[N-(2,6-dipropylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;iron(2+);dichloride
CID 173243133

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride?
The IUPAC name of cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride (CID 173243523) is cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride.
What is the SMILES notation for cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride?
The canonical SMILES for cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride is C/C(=N\C(C)C)c1cc(C)cc(/C(C)=N/C(C)C)n1.[Cl-].[Cl-].[Co+2].
What is the InChIKey of cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride?
The InChIKey is DFIFDHKEQPBEPP-SQOWISFMSA-L. The full InChI is InChI=1S/C16H25N3.2ClH.Co/c1-10(2)17-13(6)15-8-12(5)9-16(19-15)14(7)18-11(3)4;;;/h8-11H,1-7H3;2*1H;/q;;;+2/p-2/b17-13+,18-14+;;;.
What are the key properties of cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride?
cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride has a molecular weight of 389.24 g/mol, XLogP of -2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride is sourced from PubChem (CID 173243523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).