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

5-Ethyl-2-methylpyridine
CID 7728
2,4,6-Trimethylpyridine
CID 7953
Sib 1893
CID 5311432
Mpep
CID 3025961
2,3,6-Trimethylpyridine
CID 15100
5-Hexyl-2-methyl pyridine
CID 522401
6-Ethyl-2-picoline
CID 14287
2,6-Diphenylpyridine
CID 72920
2,6-Di-tert-butylpyridine
CID 68510
2,6-Di-tert-butyl-4-methylpyridine
CID 98898
3,4-Dimethyl-2,6-diphenylpyridine
CID 3110002
2-Methyl-6-(4-phenylbut-1-ynyl)pyridine
CID 11424570

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).