triethyl(icosyl)azanium chloride

C26H56ClN — CID 141198165

IUPACtriethyl(icosyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C26H56N.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(6-2,7-3)8-4;/h5-26H2,1-4H3;1H/q+1;/p-1
InChIKeyAEIJQJBSDVYWGZ-UHFFFAOYSA-M
MW418.19 g/mol
LogP5.91
Rot. Bonds22

About triethyl(icosyl)azanium chloride

triethyl(icosyl)azanium chloride (PubChem CID 141198165) has the molecular formula C26H56ClN and a molecular weight of 418.19 g/mol. Its IUPAC name is triethyl(icosyl)azanium chloride.

Molecular Properties

Compound Nametriethyl(icosyl)azanium chloride
PubChem CID141198165
Molecular FormulaC26H56ClN
Molecular Weight418.19 g/mol
Exact Mass417.41
IUPAC Nametriethyl(icosyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C26H56N.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(6-2,7-3)8-4;/h5-26H2,1-4H3;1H/q+1;/p-1
InChIKeyAEIJQJBSDVYWGZ-UHFFFAOYSA-M
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.19
LogP ≤ 55.91
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
docosyl(triethyl)azanium chloride
CID 42638705
triethyl(tetradecyl)azanium
CID 28911
triethyl(tetracosyl)azanium bromide
CID 153322859
docosyl(triethyl)azanium bromide
CID 71358281
triethyl(tetradecyl)azanium iodide
CID 87777336
triethyl(tridecyl)azanium bromide
CID 14647396
triethyl(hexadecyl)azanium iodide
CID 18466277
triethyl(octyl)azanium hydroxide
CID 23496315
ethyl(trihexadecyl)azanium chloride
CID 19896250
azane;dodecyl(triethyl)azanium;hydrochloride
CID 174746836
didecyl-ethyl-octylazanium
CID 172694602

Frequently Asked Questions

What is the IUPAC name of triethyl(icosyl)azanium chloride?
The IUPAC name of triethyl(icosyl)azanium chloride (CID 141198165) is triethyl(icosyl)azanium chloride.
What is the SMILES notation for triethyl(icosyl)azanium chloride?
The canonical SMILES for triethyl(icosyl)azanium chloride is CCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of triethyl(icosyl)azanium chloride?
The InChIKey is AEIJQJBSDVYWGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H56N.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(6-2,7-3)8-4;/h5-26H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethyl(icosyl)azanium chloride?
triethyl(icosyl)azanium chloride has a molecular weight of 418.19 g/mol, XLogP of 5.91, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(icosyl)azanium chloride is sourced from PubChem (CID 141198165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).