2-hydroxyethoxy(trimethyl)azanium bromide

C5H14BrNO2 — CID 174869797

IUPAC2-hydroxyethoxy(trimethyl)azanium bromide
SMILESC[N+](C)(C)OCCO.[Br-]
InChIInChI=1S/C5H14NO2.BrH/c1-6(2,3)8-5-4-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyPEDFVNHVOOUCTL-UHFFFAOYSA-M
MW200.08 g/mol
LogP-3.38
Rot. Bonds3

About 2-hydroxyethoxy(trimethyl)azanium bromide

2-hydroxyethoxy(trimethyl)azanium bromide (PubChem CID 174869797) has the molecular formula C5H14BrNO2 and a molecular weight of 200.08 g/mol. Its IUPAC name is 2-hydroxyethoxy(trimethyl)azanium bromide.

Molecular Properties

Compound Name2-hydroxyethoxy(trimethyl)azanium bromide
PubChem CID174869797
Molecular FormulaC5H14BrNO2
Molecular Weight200.08 g/mol
Exact Mass199.02
IUPAC Name2-hydroxyethoxy(trimethyl)azanium bromide
SMILESC[N+](C)(C)OCCO.[Br-]
InChIInChI=1S/C5H14NO2.BrH/c1-6(2,3)8-5-4-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyPEDFVNHVOOUCTL-UHFFFAOYSA-M
XLogP-3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 5-3.38
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'}

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Related Compounds

tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate
CID 174506385
tris(2-hydroxyethoxy)-propylazanium
CID 88748271
difluoro-bis(2-hydroxyethoxy)azanium
CID 87095875
bis(2-hydroxyethoxy)-dipropylazanium
CID 88798056
2-methoxyethanol;sulfane
CID 174965249
methyl sulfate;tris(2-hydroxyethoxy)-methylazanium
CID 87130056
ethane-1,2-diol;tetramethylazanium
CID 172788906
2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride
CID 166692262
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-methylazanium
CID 170672450
ethane;2-methoxyethanol
CID 175109361
2-(2-hydroxyethylperoxy)ethanol;methoxymethane
CID 174905336
sodium 2-methoxyethanol
CID 21124383

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethoxy(trimethyl)azanium bromide?
The IUPAC name of 2-hydroxyethoxy(trimethyl)azanium bromide (CID 174869797) is 2-hydroxyethoxy(trimethyl)azanium bromide.
What is the SMILES notation for 2-hydroxyethoxy(trimethyl)azanium bromide?
The canonical SMILES for 2-hydroxyethoxy(trimethyl)azanium bromide is C[N+](C)(C)OCCO.[Br-].
What is the InChIKey of 2-hydroxyethoxy(trimethyl)azanium bromide?
The InChIKey is PEDFVNHVOOUCTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO2.BrH/c1-6(2,3)8-5-4-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2-hydroxyethoxy(trimethyl)azanium bromide?
2-hydroxyethoxy(trimethyl)azanium bromide has a molecular weight of 200.08 g/mol, XLogP of -3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethoxy(trimethyl)azanium bromide is sourced from PubChem (CID 174869797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).