2-hydroxyethyl-methyl-tetradecylazanium bromide

C17H38BrNO — CID 134159623

IUPAC2-hydroxyethyl-methyl-tetradecylazanium bromide
SMILESCCCCCCCCCCCCCC[NH+](C)CCO.[Br-]
InChIInChI=1S/C17H37NO.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)16-17-19;/h19H,3-17H2,1-2H3;1H
InChIKeyNOZXYEVGIUZSEO-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.20
Rot. Bonds15

About 2-hydroxyethyl-methyl-tetradecylazanium bromide

2-hydroxyethyl-methyl-tetradecylazanium bromide (PubChem CID 134159623) has the molecular formula C17H38BrNO and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-hydroxyethyl-methyl-tetradecylazanium bromide.

Molecular Properties

Compound Name2-hydroxyethyl-methyl-tetradecylazanium bromide
PubChem CID134159623
Molecular FormulaC17H38BrNO
Molecular Weight352.40 g/mol
Exact Mass351.21
IUPAC Name2-hydroxyethyl-methyl-tetradecylazanium bromide
SMILESCCCCCCCCCCCCCC[NH+](C)CCO.[Br-]
InChIInChI=1S/C17H37NO.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)16-17-19;/h19H,3-17H2,1-2H3;1H
InChIKeyNOZXYEVGIUZSEO-UHFFFAOYSA-N
XLogP0.20
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl-octyl-pentylazanium bromide
CID 139956021
heptyl-hexyl-methylazanium bromide
CID 139955900
docosyl-methyl-tetradecylazanium chloride
CID 141288943
methyl-di(undecyl)azanium iodide
CID 139956406
dodecyl-ethyl-methylazanium bromide
CID 87851424
2-(2-hydroxyethoxy)ethyl-methyl-octylazanium chloride
CID 158031583
methyl(dioctadecyl)azanium chlorite
CID 87492098
didecyl(methyl)azanium acetate
CID 122696251
ethyl-hexacosyl-methylazanium chloride
CID 87596133
2-chloroethyl-methyl-octadecylazanium chloride
CID 86722748
3-carboxypropyl-methyl-tetradecylazanium
CID 145097608
dimethyl(tridecyl)azanium bromide
CID 87747637

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-methyl-tetradecylazanium bromide?
The IUPAC name of 2-hydroxyethyl-methyl-tetradecylazanium bromide (CID 134159623) is 2-hydroxyethyl-methyl-tetradecylazanium bromide.
What is the SMILES notation for 2-hydroxyethyl-methyl-tetradecylazanium bromide?
The canonical SMILES for 2-hydroxyethyl-methyl-tetradecylazanium bromide is CCCCCCCCCCCCCC[NH+](C)CCO.[Br-].
What is the InChIKey of 2-hydroxyethyl-methyl-tetradecylazanium bromide?
The InChIKey is NOZXYEVGIUZSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)16-17-19;/h19H,3-17H2,1-2H3;1H.
What are the key properties of 2-hydroxyethyl-methyl-tetradecylazanium bromide?
2-hydroxyethyl-methyl-tetradecylazanium bromide has a molecular weight of 352.40 g/mol, XLogP of 0.20, 15 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-methyl-tetradecylazanium bromide is sourced from PubChem (CID 134159623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).