aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium

C9H22IN2O3+ — CID 163686755

About aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium

aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium (PubChem CID 163686755) has the molecular formula C9H22IN2O3+ and a molecular weight of 333.19 g/mol. Its IUPAC name is aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium.

Molecular Properties

• Compound Name: aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium
• PubChem CID: 163686755
• Molecular Formula: C9H22IN2O3+
• Molecular Weight: 333.19 g/mol
• Exact Mass: 333.07
• IUPAC Name: aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium
• SMILES: C[N+](CN)(CI)CCOCCOCCO
• InChI: InChI=1S/C9H22IN2O3/c1-12(8-10,9-11)2-4-14-6-7-15-5-3-13/h13H,2-9,11H2,1H3/q+1
• InChIKey: WOJHZNBUZIRNRD-UHFFFAOYSA-N
• XLogP: -0.23
• TPSA: 64.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.19
LogP ≤ 5	-0.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium?

The IUPAC name of aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium (CID 163686755) is aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium.

What is the SMILES notation for aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium?

The canonical SMILES for aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium is C[N+](CN)(CI)CCOCCOCCO.

What is the InChIKey of aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium?

The InChIKey is WOJHZNBUZIRNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22IN2O3/c1-12(8-10,9-11)2-4-14-6-7-15-5-3-13/h13H,2-9,11H2,1H3/q+1.

What are the key properties of aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium?

aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium has a molecular weight of 333.19 g/mol, XLogP of -0.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for aminomethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-(iodomethyl)-methylazanium is sourced from PubChem (CID 163686755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).