copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide

C28H54Cu2N8O2 — CID 58058036

About copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide

copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide (PubChem CID 58058036) has the molecular formula C28H54Cu2N8O2 and a molecular weight of 661.89 g/mol. Its IUPAC name is copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide.

Molecular Properties

• Compound Name: copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
• PubChem CID: 58058036
• Molecular Formula: C28H54Cu2N8O2
• Molecular Weight: 661.89 g/mol
• Exact Mass: 660.30
• IUPAC Name: copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
• SMILES: CN(C)CCN(CCN(C)C)Cc1ccccn1.CN(C)CCN(CCN(C)C)Cc1ccccn1.OO.[Cu].[Cu]
• InChI: InChI=1S/2C14H26N4.2Cu.H2O2/c2*1-16(2)9-11-18(12-10-17(3)4)13-14-7-5-6-8-15-14;;;1-2/h2*5-8H,9-13H2,1-4H3;;;1-2H
• InChIKey: MGFLTSGKTZESNU-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 85.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	661.89
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide?

The IUPAC name of copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide (CID 58058036) is copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide.

What is the SMILES notation for copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide?

The canonical SMILES for copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide is CN(C)CCN(CCN(C)C)Cc1ccccn1.CN(C)CCN(CCN(C)C)Cc1ccccn1.OO.[Cu].[Cu].

What is the InChIKey of copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide?

The InChIKey is MGFLTSGKTZESNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H26N4.2Cu.H2O2/c2*1-16(2)9-11-18(12-10-17(3)4)13-14-7-5-6-8-15-14;;;1-2/h2*5-8H,9-13H2,1-4H3;;;1-2H.

What are the key properties of copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide?

copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide has a molecular weight of 661.89 g/mol, XLogP of 2.03, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide is sourced from PubChem (CID 58058036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).