triethyl(tetradecyl)azanium

C20H44N+ — CID 28911

IUPACtriethyl(tetradecyl)azanium
SMILESCCCCCCCCCCCCCC[N+](CC)(CC)CC
InChIInChI=1S/C20H44N/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21(6-2,7-3)8-4/h5-20H2,1-4H3/q+1
InChIKeyJXCCIZBMTUFJKN-UHFFFAOYSA-N
MW298.58 g/mol
LogP6.56
Rot. Bonds16

About triethyl(tetradecyl)azanium

triethyl(tetradecyl)azanium (PubChem CID 28911) has the molecular formula C20H44N+ and a molecular weight of 298.58 g/mol. Its IUPAC name is triethyl(tetradecyl)azanium.

Molecular Properties

Compound Nametriethyl(tetradecyl)azanium
PubChem CID28911
Molecular FormulaC20H44N+
Molecular Weight298.58 g/mol
Exact Mass298.35
IUPAC Nametriethyl(tetradecyl)azanium
SMILESCCCCCCCCCCCCCC[N+](CC)(CC)CC
InChIInChI=1S/C20H44N/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21(6-2,7-3)8-4/h5-20H2,1-4H3/q+1
InChIKeyJXCCIZBMTUFJKN-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.58
LogP ≤ 56.56
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(tetradecyl)azanium chloride
CID 15664048
triethyl(hexadecyl)azanium iodide
CID 18466277
triethyl(tetracosyl)azanium bromide
CID 153322859
triethyl(icosyl)azanium chloride
CID 141198165
triethyl(tetradecyl)azanium iodide
CID 87777336
triethyl(tridecyl)azanium bromide
CID 14647396
docosyl(triethyl)azanium bromide
CID 71358281
docosyl(triethyl)azanium chloride
CID 42638705
triethyl(octyl)azanium hydroxide
CID 23496315
azane;dodecyl(triethyl)azanium;hydrochloride
CID 174746836
didecyl-ethyl-octylazanium
CID 172694602
dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750

Frequently Asked Questions

What is the IUPAC name of triethyl(tetradecyl)azanium?
The IUPAC name of triethyl(tetradecyl)azanium (CID 28911) is triethyl(tetradecyl)azanium.
What is the SMILES notation for triethyl(tetradecyl)azanium?
The canonical SMILES for triethyl(tetradecyl)azanium is CCCCCCCCCCCCCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl(tetradecyl)azanium?
The InChIKey is JXCCIZBMTUFJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21(6-2,7-3)8-4/h5-20H2,1-4H3/q+1.
What are the key properties of triethyl(tetradecyl)azanium?
triethyl(tetradecyl)azanium has a molecular weight of 298.58 g/mol, XLogP of 6.56, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(tetradecyl)azanium is sourced from PubChem (CID 28911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).