2-aminooxyethyl(trimethyl)azanium iodide

C5H15IN2O — CID 70673690

IUPAC2-aminooxyethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CCON.[I-]
InChIInChI=1S/C5H15N2O.HI/c1-7(2,3)4-5-8-6;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyWANLTKWJWUOGTD-UHFFFAOYSA-M
MW246.09 g/mol
LogP-3.41
Rot. Bonds3

About 2-aminooxyethyl(trimethyl)azanium iodide

2-aminooxyethyl(trimethyl)azanium iodide (PubChem CID 70673690) has the molecular formula C5H15IN2O and a molecular weight of 246.09 g/mol. Its IUPAC name is 2-aminooxyethyl(trimethyl)azanium iodide.

Molecular Properties

Compound Name2-aminooxyethyl(trimethyl)azanium iodide
PubChem CID70673690
Molecular FormulaC5H15IN2O
Molecular Weight246.09 g/mol
Exact Mass246.02
IUPAC Name2-aminooxyethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CCON.[I-]
InChIInChI=1S/C5H15N2O.HI/c1-7(2,3)4-5-8-6;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyWANLTKWJWUOGTD-UHFFFAOYSA-M
XLogP-3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 5-3.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-aminooxyethyl(trimethyl)azanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-ethylhydroxylamine;trimethyl(propyl)azanium
CID 162168540
2-hydroperoxyethyl(trimethyl)azanium;sulfane
CID 174916235
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
CID 174841287
2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium
CID 57049862
2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 91359871
2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide
CID 3068447
barium(2+);2-carbamoyloxyethyl(trimethyl)azanium
CID 88516621
2-acetyloxyethyl(trimethyl)azanium bromide
CID 547020
2-acetyloxyethyl(trimethyl)azanium;phosphane
CID 172811747
2-(4-chlorobutanoyloxy)ethyl-trimethylazanium
CID 90374821
CID 158732412
CID 158732412

Frequently Asked Questions

What is the IUPAC name of 2-aminooxyethyl(trimethyl)azanium iodide?
The IUPAC name of 2-aminooxyethyl(trimethyl)azanium iodide (CID 70673690) is 2-aminooxyethyl(trimethyl)azanium iodide.
What is the SMILES notation for 2-aminooxyethyl(trimethyl)azanium iodide?
The canonical SMILES for 2-aminooxyethyl(trimethyl)azanium iodide is C[N+](C)(C)CCON.[I-].
What is the InChIKey of 2-aminooxyethyl(trimethyl)azanium iodide?
The InChIKey is WANLTKWJWUOGTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H15N2O.HI/c1-7(2,3)4-5-8-6;/h4-6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2-aminooxyethyl(trimethyl)azanium iodide?
2-aminooxyethyl(trimethyl)azanium iodide has a molecular weight of 246.09 g/mol, XLogP of -3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyethyl(trimethyl)azanium iodide is sourced from PubChem (CID 70673690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).