2-aminooxyethyl-benzyl-dimethylazanium

C11H19N2O+ — CID 70673692

IUPAC2-aminooxyethyl-benzyl-dimethylazanium
SMILESC[N+](C)(CCON)Cc1ccccc1
InChIInChI=1S/C11H19N2O/c1-13(2,8-9-14-12)10-11-6-4-3-5-7-11/h3-7H,8-10,12H2,1-2H3/q+1
InChIKeyQJRNHUPIQFGERL-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.15
Rot. Bonds5

About 2-aminooxyethyl-benzyl-dimethylazanium

2-aminooxyethyl-benzyl-dimethylazanium (PubChem CID 70673692) has the molecular formula C11H19N2O+ and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-aminooxyethyl-benzyl-dimethylazanium.

Molecular Properties

Compound Name2-aminooxyethyl-benzyl-dimethylazanium
PubChem CID70673692
Molecular FormulaC11H19N2O+
Molecular Weight195.29 g/mol
Exact Mass195.15
IUPAC Name2-aminooxyethyl-benzyl-dimethylazanium
SMILESC[N+](C)(CCON)Cc1ccccc1
InChIInChI=1S/C11H19N2O/c1-13(2,8-9-14-12)10-11-6-4-3-5-7-11/h3-7H,8-10,12H2,1-2H3/q+1
InChIKeyQJRNHUPIQFGERL-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-aminooxyethyl-benzyl-dimethylazanium 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

benzyl-[2-[benzyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;dibromide;dihydrate
CID 139074114
benzyl-[2-[4-[2-[benzyl(dimethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium dibromide
CID 18528273
benzyl-dimethyl-propylazanium;boranuide
CID 173258032
benzyl-(2-butanoyloxyethyl)-dimethylazanium chloride
CID 15611864
benzyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide
CID 87361071
dibenzyl(dimethyl)azanium;hydrate;hydrochloride
CID 126959891
benzyl-(2-dodecoxyethyl)-dimethylazanium chloride
CID 11965151
benzyl-dimethyl-octylazanium
CID 13741
benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
benzyl-ethyl-dimethylazanium;methane
CID 169432077
CID 175396527
CID 175396527
tris(benzyl-dodecyl-dimethylazanium);tribromide
CID 155665719

Frequently Asked Questions

What is the IUPAC name of 2-aminooxyethyl-benzyl-dimethylazanium?
The IUPAC name of 2-aminooxyethyl-benzyl-dimethylazanium (CID 70673692) is 2-aminooxyethyl-benzyl-dimethylazanium.
What is the SMILES notation for 2-aminooxyethyl-benzyl-dimethylazanium?
The canonical SMILES for 2-aminooxyethyl-benzyl-dimethylazanium is C[N+](C)(CCON)Cc1ccccc1.
What is the InChIKey of 2-aminooxyethyl-benzyl-dimethylazanium?
The InChIKey is QJRNHUPIQFGERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O/c1-13(2,8-9-14-12)10-11-6-4-3-5-7-11/h3-7H,8-10,12H2,1-2H3/q+1.
What are the key properties of 2-aminooxyethyl-benzyl-dimethylazanium?
2-aminooxyethyl-benzyl-dimethylazanium has a molecular weight of 195.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyethyl-benzyl-dimethylazanium is sourced from PubChem (CID 70673692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).