hexadecyl(trimethyl)azanium bromide

C19H42BrN — CID 5974

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

About hexadecyl(trimethyl)azanium bromide

hexadecyl(trimethyl)azanium bromide (PubChem CID 5974) has the molecular formula C19H42BrN and a molecular weight of 364.46 g/mol. Its IUPAC name is hexadecyl(trimethyl)azanium bromide.

Molecular Properties

Compound Namehexadecyl(trimethyl)azanium bromide
PubChem CID5974
Molecular FormulaC19H42BrN
Molecular Weight364.46 g/mol
Exact Mass363.25
IUPAC Namehexadecyl(trimethyl)azanium bromide
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
InChIKeyLZZYPRNAOMGNLH-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'}

Analyze hexadecyl(trimethyl)azanium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Didecyldimethylammonium Chloride
CID 23558
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
Tetradecyltrimethylammonium chloride
CID 20708
Dioctyldimethylammonium chloride
CID 62581

Frequently Asked Questions

What is the IUPAC name of hexadecyl(trimethyl)azanium bromide?
The IUPAC name of hexadecyl(trimethyl)azanium bromide (CID 5974) is hexadecyl(trimethyl)azanium bromide.
What is the SMILES notation for hexadecyl(trimethyl)azanium bromide?
The canonical SMILES for hexadecyl(trimethyl)azanium bromide is CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-].
What is the InChIKey of hexadecyl(trimethyl)azanium bromide?
The InChIKey is LZZYPRNAOMGNLH-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1.
What are the key properties of hexadecyl(trimethyl)azanium bromide?
hexadecyl(trimethyl)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 hexadecyl(trimethyl)azanium bromide is sourced from PubChem (CID 5974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).