trimethyl(tetradecyl)azanium chloride

C17H38ClN — CID 20708

IUPACtrimethyl(tetradecyl)azanium chloride
SMILESCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C17H38N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyCEYYIKYYFSTQRU-UHFFFAOYSA-M
MW291.95 g/mol
LogP2.40
Rot. Bonds13

About trimethyl(tetradecyl)azanium chloride

trimethyl(tetradecyl)azanium chloride (PubChem CID 20708) has the molecular formula C17H38ClN and a molecular weight of 291.95 g/mol. Its IUPAC name is trimethyl(tetradecyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(tetradecyl)azanium chloride
PubChem CID20708
Molecular FormulaC17H38ClN
Molecular Weight291.95 g/mol
Exact Mass291.27
IUPAC Nametrimethyl(tetradecyl)azanium chloride
SMILESCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C17H38N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyCEYYIKYYFSTQRU-UHFFFAOYSA-M
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.95
LogP ≤ 52.40
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

Didecyldimethylammonium Chloride
CID 23558
Hexadecyltrimethylammonium Bromide
CID 5974
Decamethonium
CID 2968
Decamethonium dibromide
CID 10921
Hexadecyltrimethylammonium chloride
CID 8154
Dodecyltrimethylammonium chloride
CID 8152
Stearyltrimethylammonium chloride
CID 8155
Dimethyloctadecylamine
CID 15365
Cetyltrimethylammonium
CID 2681
Dodecyltrimethylammonium bromide
CID 14249
Tetradecyltrimethylammonium bromide
CID 14250
Dioctyldimethylammonium chloride
CID 62581

Frequently Asked Questions

What is the IUPAC name of trimethyl(tetradecyl)azanium chloride?
The IUPAC name of trimethyl(tetradecyl)azanium chloride (CID 20708) is trimethyl(tetradecyl)azanium chloride.
What is the SMILES notation for trimethyl(tetradecyl)azanium chloride?
The canonical SMILES for trimethyl(tetradecyl)azanium chloride is CCCCCCCCCCCCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(tetradecyl)azanium chloride?
The InChIKey is CEYYIKYYFSTQRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H38N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(tetradecyl)azanium chloride?
trimethyl(tetradecyl)azanium chloride has a molecular weight of 291.95 g/mol, XLogP of 2.40, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(tetradecyl)azanium chloride is sourced from PubChem (CID 20708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).