triethyl(tridecyl)azanium bromide

C19H42BrN — CID 14647396

IUPACtriethyl(tridecyl)azanium bromide
SMILESCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C19H42N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20(6-2,7-3)8-4;/h5-19H2,1-4H3;1H/q+1;/p-1
InChIKeyQMFWEFZFXCTEOF-UHFFFAOYSA-M
MW364.46 g/mol
LogP3.18
Rot. Bonds15

About triethyl(tridecyl)azanium bromide

triethyl(tridecyl)azanium bromide (PubChem CID 14647396) has the molecular formula C19H42BrN and a molecular weight of 364.46 g/mol. Its IUPAC name is triethyl(tridecyl)azanium bromide.

Molecular Properties

Compound Nametriethyl(tridecyl)azanium bromide
PubChem CID14647396
Molecular FormulaC19H42BrN
Molecular Weight364.46 g/mol
Exact Mass363.25
IUPAC Nametriethyl(tridecyl)azanium bromide
SMILESCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C19H42N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20(6-2,7-3)8-4;/h5-19H2,1-4H3;1H/q+1;/p-1
InChIKeyQMFWEFZFXCTEOF-UHFFFAOYSA-M
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

triethyl(tetracosyl)azanium bromide
CID 153322859
docosyl(triethyl)azanium bromide
CID 71358281
triethyl(tetradecyl)azanium
CID 28911
diethyl-heptyl-octylazanium bromide
CID 88763250
triethyl(hexadecyl)azanium iodide
CID 18466277
triethyl(tetradecyl)azanium chloride
CID 15664048
triethyl(tetradecyl)azanium iodide
CID 87777336
triethyl(icosyl)azanium chloride
CID 141198165
docosyl(triethyl)azanium chloride
CID 42638705
triethyl(octyl)azanium hydroxide
CID 23496315
azane;dodecyl(triethyl)azanium;hydrochloride
CID 174746836
didecyl-ethyl-octylazanium
CID 172694602

Frequently Asked Questions

What is the IUPAC name of triethyl(tridecyl)azanium bromide?
The IUPAC name of triethyl(tridecyl)azanium bromide (CID 14647396) is triethyl(tridecyl)azanium bromide.
What is the SMILES notation for triethyl(tridecyl)azanium bromide?
The canonical SMILES for triethyl(tridecyl)azanium bromide is CCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-].
What is the InChIKey of triethyl(tridecyl)azanium bromide?
The InChIKey is QMFWEFZFXCTEOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H42N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20(6-2,7-3)8-4;/h5-19H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethyl(tridecyl)azanium bromide?
triethyl(tridecyl)azanium bromide has a molecular weight of 364.46 g/mol, XLogP of 3.18, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(tridecyl)azanium bromide is sourced from PubChem (CID 14647396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).