cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide

C29H40Br2CoN4 — CID 18441534

About cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide

cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide (PubChem CID 18441534) has the molecular formula C29H40Br2CoN4 and a molecular weight of 663.41 g/mol. Its IUPAC name is cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide.

Molecular Properties

• Compound Name: cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide
• PubChem CID: 18441534
• Molecular Formula: C29H40Br2CoN4
• Molecular Weight: 663.41 g/mol
• Exact Mass: 661.10
• IUPAC Name: cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide
• SMILES: Cc1cc(C)c(NCCCN(CCNc2c(C)cc(C)cc2C)Cc2ccccn2)c(C)c1.[Br-].[Br-].[Co+2]
• InChI: InChI=1S/C29H40N4.2BrH.Co/c1-21-16-23(3)28(24(4)17-21)31-12-9-14-33(20-27-10-7-8-11-30-27)15-13-32-29-25(5)18-22(2)19-26(29)6;;;/h7-8,10-11,16-19,31-32H,9,12-15,20H2,1-6H3;2*1H;/q;;;+2/p-2
• InChIKey: NZAMFPNWAUORPD-UHFFFAOYSA-L
• XLogP: 0.35
• TPSA: 40.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	663.41
LogP ≤ 5	0.35
H-Bond Donors ≤ 5	2
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'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide?

The IUPAC name of cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide (CID 18441534) is cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide.

What is the SMILES notation for cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide?

The canonical SMILES for cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide is Cc1cc(C)c(NCCCN(CCNc2c(C)cc(C)cc2C)Cc2ccccn2)c(C)c1.[Br-].[Br-].[Co+2].

What is the InChIKey of cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide?

The InChIKey is NZAMFPNWAUORPD-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H40N4.2BrH.Co/c1-21-16-23(3)28(24(4)17-21)31-12-9-14-33(20-27-10-7-8-11-30-27)15-13-32-29-25(5)18-22(2)19-26(29)6;;;/h7-8,10-11,16-19,31-32H,9,12-15,20H2,1-6H3;2*1H;/q;;;+2/p-2.

What are the key properties of cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide?

cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide has a molecular weight of 663.41 g/mol, XLogP of 0.35, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide is sourced from PubChem (CID 18441534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).