2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide

C5H16Br3NO — CID 173388257

IUPAC2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
SMILESBr.Br.C[N+](C)(C)CCO.[Br-]
InChIInChI=1S/C5H14NO.3BrH/c1-6(2,3)4-5-7;;;/h7H,4-5H2,1-3H3;3*1H/q+1;;;/p-1
InChIKeyFYMXWTPPUIMIGH-UHFFFAOYSA-M
MW345.90 g/mol
LogP-2.16
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide

2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide (PubChem CID 173388257) has the molecular formula C5H16Br3NO and a molecular weight of 345.90 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
PubChem CID173388257
Molecular FormulaC5H16Br3NO
Molecular Weight345.90 g/mol
Exact Mass342.88
IUPAC Name2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
SMILESBr.Br.C[N+](C)(C)CCO.[Br-]
InChIInChI=1S/C5H14NO.3BrH/c1-6(2,3)4-5-7;;;/h7H,4-5H2,1-3H3;3*1H/q+1;;;/p-1
InChIKeyFYMXWTPPUIMIGH-UHFFFAOYSA-M
XLogP-2.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 5-2.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium)
CID 87573240
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
CID 175143989
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407
2-hydroxyethyl(trimethyl)azanium triiodide
CID 18406425
2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride
CID 177256523
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide (CID 173388257) is 2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide is Br.Br.C[N+](C)(C)CCO.[Br-].
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide?
The InChIKey is FYMXWTPPUIMIGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.3BrH/c1-6(2,3)4-5-7;;;/h7H,4-5H2,1-3H3;3*1H/q+1;;;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide?
2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide has a molecular weight of 345.90 g/mol, XLogP of -2.16, 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;bromide;dihydrobromide is sourced from PubChem (CID 173388257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).