2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide

C5H17ClI2NO+ — CID 175143989

IUPAC2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
SMILESC[N+](C)(C)CCO.Cl.I.I
InChIInChI=1S/C5H14NO.ClH.2HI/c1-6(2,3)4-5-7;;;/h7H,4-5H2,1-3H3;3*1H/q+1;;;
InChIKeySBAMEYIHMOHAHI-UHFFFAOYSA-N
MW396.46 g/mol
LogP1.34
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide

2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide (PubChem CID 175143989) has the molecular formula C5H17ClI2NO+ and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
PubChem CID175143989
Molecular FormulaC5H17ClI2NO+
Molecular Weight396.46 g/mol
Exact Mass395.91
IUPAC Name2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
SMILESC[N+](C)(C)CCO.Cl.I.I
InChIInChI=1S/C5H14NO.ClH.2HI/c1-6(2,3)4-5-7;;;/h7H,4-5H2,1-3H3;3*1H/q+1;;;
InChIKeySBAMEYIHMOHAHI-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide 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

2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
CID 173388257
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407
2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride
CID 177256523
hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium)
CID 87573240
2-hydroxyethyl(trimethyl)azanium triiodide
CID 18406425
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide (CID 175143989) is 2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide is C[N+](C)(C)CCO.Cl.I.I.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide?
The InChIKey is SBAMEYIHMOHAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO.ClH.2HI/c1-6(2,3)4-5-7;;;/h7H,4-5H2,1-3H3;3*1H/q+1;;;.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide?
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide has a molecular weight of 396.46 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide is sourced from PubChem (CID 175143989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).