cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride

C29H40Cl2CoN4 — CID 18441572

About cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride

cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride (PubChem CID 18441572) has the molecular formula C29H40Cl2CoN4 and a molecular weight of 574.51 g/mol. Its IUPAC name is cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride.

Molecular Properties

• Compound Name: cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride
• PubChem CID: 18441572
• Molecular Formula: C29H40Cl2CoN4
• Molecular Weight: 574.51 g/mol
• Exact Mass: 573.20
• IUPAC Name: cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride
• SMILES: CCc1cccc(CC)c1NCCNCc1ncccc1CNc1c(CC)cccc1CC.[Cl-].[Cl-].[Co+2]
• InChI: InChI=1S/C29H40N4.2ClH.Co/c1-5-22-12-9-13-23(6-2)28(22)32-19-18-30-21-27-26(16-11-17-31-27)20-33-29-24(7-3)14-10-15-25(29)8-4;;;/h9-17,30,32-33H,5-8,18-21H2,1-4H3;2*1H;/q;;;+2/p-2
• InChIKey: LFXUOXZLOPGMHF-UHFFFAOYSA-L
• XLogP: 0.15
• TPSA: 48.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.51
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride?

The IUPAC name of cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride (CID 18441572) is cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride.

What is the SMILES notation for cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride?

The canonical SMILES for cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride is CCc1cccc(CC)c1NCCNCc1ncccc1CNc1c(CC)cccc1CC.[Cl-].[Cl-].[Co+2].

What is the InChIKey of cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride?

The InChIKey is LFXUOXZLOPGMHF-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H40N4.2ClH.Co/c1-5-22-12-9-13-23(6-2)28(22)32-19-18-30-21-27-26(16-11-17-31-27)20-33-29-24(7-3)14-10-15-25(29)8-4;;;/h9-17,30,32-33H,5-8,18-21H2,1-4H3;2*1H;/q;;;+2/p-2.

What are the key properties of cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride?

cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride has a molecular weight of 574.51 g/mol, XLogP of 0.15, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride is sourced from PubChem (CID 18441572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).