1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium

C22H34N2O3+2 — CID 24742174

About 1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium

1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium (PubChem CID 24742174) has the molecular formula C22H34N2O3+2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium.

Molecular Properties

• Compound Name: 1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium
• PubChem CID: 24742174
• Molecular Formula: C22H34N2O3+2
• Molecular Weight: 374.53 g/mol
• Exact Mass: 374.26
• IUPAC Name: 1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium
• SMILES: Cc1cc(C)c[n+](CCOCCOCCOCC[n+]2cc(C)cc(C)c2)c1
• InChI: InChI=1S/C22H34N2O3/c1-19-13-20(2)16-23(15-19)5-7-25-9-11-27-12-10-26-8-6-24-17-21(3)14-22(4)18-24/h13-18H,5-12H2,1-4H3/q+2
• InChIKey: HILRDQXWNCJHBO-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 35.45 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.53
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium?

The IUPAC name of 1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium (CID 24742174) is 1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium.

What is the SMILES notation for 1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium?

The canonical SMILES for 1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium is Cc1cc(C)c[n+](CCOCCOCCOCC[n+]2cc(C)cc(C)c2)c1.

What is the InChIKey of 1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium?

The InChIKey is HILRDQXWNCJHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-19-13-20(2)16-23(15-19)5-7-25-9-11-27-12-10-26-8-6-24-17-21(3)14-22(4)18-24/h13-18H,5-12H2,1-4H3/q+2.

What are the key properties of 1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium?

1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium has a molecular weight of 374.53 g/mol, XLogP of 2.25, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium is sourced from PubChem (CID 24742174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).