2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride

C22H52Cl4N6O8 — CID 11050648

About 2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride

2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride (PubChem CID 11050648) has the molecular formula C22H52Cl4N6O8 and a molecular weight of 670.50 g/mol. Its IUPAC name is 2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride.

Molecular Properties

• Compound Name: 2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride
• PubChem CID: 11050648
• Molecular Formula: C22H52Cl4N6O8
• Molecular Weight: 670.50 g/mol
• Exact Mass: 668.26
• IUPAC Name: 2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride
• SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[NH3+]CCOCCOCCNC(=O)C[NH+](CCOCCOCC[NH3+])CC(=O)NCCOCCOCC[NH3+]
• InChI: InChI=1S/C22H48N6O8.4ClH/c23-1-7-31-13-16-34-10-4-26-21(29)19-28(6-12-36-18-15-33-9-3-25)20-22(30)27-5-11-35-17-14-32-8-2-24;;;;/h1-20,23-25H2,(H,26,29)(H,27,30);4*1H
• InChIKey: QRRMIQVEMCQTAS-UHFFFAOYSA-N
• XLogP: -19.06
• TPSA: 200.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 28
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.50
LogP ≤ 5	-19.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride?

The IUPAC name of 2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride (CID 11050648) is 2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride.

What is the SMILES notation for 2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride?

The canonical SMILES for 2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride is [Cl-].[Cl-].[Cl-].[Cl-].[NH3+]CCOCCOCCNC(=O)C[NH+](CCOCCOCC[NH3+])CC(=O)NCCOCCOCC[NH3+].

What is the InChIKey of 2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride?

The InChIKey is QRRMIQVEMCQTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N6O8.4ClH/c23-1-7-31-13-16-34-10-4-26-21(29)19-28(6-12-36-18-15-33-9-3-25)20-22(30)27-5-11-35-17-14-32-8-2-24;;;;/h1-20,23-25H2,(H,26,29)(H,27,30);4*1H.

What are the key properties of 2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride?

2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride has a molecular weight of 670.50 g/mol, XLogP of -19.06, 28 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-azaniumylethoxy)ethoxy]ethyl-bis[2-[2-[2-(2-azaniumylethoxy)ethoxy]ethylamino]-2-oxoethyl]azanium tetrachloride is sourced from PubChem (CID 11050648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).