dodecyl(trimethyl)azanium;ethanol;bromide

C17H40BrNO — CID 161248907

IUPACdodecyl(trimethyl)azanium;ethanol;bromide
SMILESCCCCCCCCCCCC[N+](C)(C)C.CCO.[Br-]
InChIInChI=1S/C15H34N.C2H6O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;1-2-3;/h5-15H2,1-4H3;3H,2H2,1H3;1H/q+1;;/p-1
InChIKeyVAZUVZABXOQJNQ-UHFFFAOYSA-M
MW354.42 g/mol
LogP1.62
Rot. Bonds11

About dodecyl(trimethyl)azanium;ethanol;bromide

dodecyl(trimethyl)azanium;ethanol;bromide (PubChem CID 161248907) has the molecular formula C17H40BrNO and a molecular weight of 354.42 g/mol. Its IUPAC name is dodecyl(trimethyl)azanium;ethanol;bromide.

Molecular Properties

Compound Namedodecyl(trimethyl)azanium;ethanol;bromide
PubChem CID161248907
Molecular FormulaC17H40BrNO
Molecular Weight354.42 g/mol
Exact Mass353.23
IUPAC Namedodecyl(trimethyl)azanium;ethanol;bromide
SMILESCCCCCCCCCCCC[N+](C)(C)C.CCO.[Br-]
InChIInChI=1S/C15H34N.C2H6O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;1-2-3;/h5-15H2,1-4H3;3H,2H2,1H3;1H/q+1;;/p-1
InChIKeyVAZUVZABXOQJNQ-UHFFFAOYSA-M
XLogP1.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl(trimethyl)azanium;methanol;bromide
CID 160928079
trimethyl(pentacontyl)azanium bromide
CID 118223247
dichloromercury;ethanol;hexadecyl(trimethyl)azanium;bromide
CID 173182738
azane;trimethyl(octyl)azanium;bromide
CID 175301747
phosphanium;dodecyl(trimethyl)azanium;dibromide
CID 158330672
dodecyl(trimethyl)azanium;bromide;dihydrobromide
CID 173358301
bis(trimethyl(octadecyl)azanium);bromide;chloride
CID 155665439
trimethyl(nonatetracontyl)azanium
CID 118223275
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(tetradecyl)azanium
CID 14251
azane;trimethyl(tetradecyl)azanium;bromide;hydrochloride
CID 174902264
butyl(trimethyl)azanium;trimethyl(octyl)azanium
CID 87103767

Frequently Asked Questions

What is the IUPAC name of dodecyl(trimethyl)azanium;ethanol;bromide?
The IUPAC name of dodecyl(trimethyl)azanium;ethanol;bromide (CID 161248907) is dodecyl(trimethyl)azanium;ethanol;bromide.
What is the SMILES notation for dodecyl(trimethyl)azanium;ethanol;bromide?
The canonical SMILES for dodecyl(trimethyl)azanium;ethanol;bromide is CCCCCCCCCCCC[N+](C)(C)C.CCO.[Br-].
What is the InChIKey of dodecyl(trimethyl)azanium;ethanol;bromide?
The InChIKey is VAZUVZABXOQJNQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H34N.C2H6O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;1-2-3;/h5-15H2,1-4H3;3H,2H2,1H3;1H/q+1;;/p-1.
What are the key properties of dodecyl(trimethyl)azanium;ethanol;bromide?
dodecyl(trimethyl)azanium;ethanol;bromide has a molecular weight of 354.42 g/mol, XLogP of 1.62, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(trimethyl)azanium;ethanol;bromide is sourced from PubChem (CID 161248907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).