dodecyl(trimethyl)azanium bromide

C15H34BrN — CID 14249

IUPACdodecyl(trimethyl)azanium bromide
SMILESCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
InChIKeyXJWSAJYUBXQQDR-UHFFFAOYSA-M
MW308.35 g/mol
LogP1.62
Rot. Bonds11

About dodecyl(trimethyl)azanium bromide

dodecyl(trimethyl)azanium bromide (PubChem CID 14249) has the molecular formula C15H34BrN and a molecular weight of 308.35 g/mol. Its IUPAC name is dodecyl(trimethyl)azanium bromide.

Molecular Properties

Compound Namedodecyl(trimethyl)azanium bromide
PubChem CID14249
Molecular FormulaC15H34BrN
Molecular Weight308.35 g/mol
Exact Mass307.19
IUPAC Namedodecyl(trimethyl)azanium bromide
SMILESCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
InChIKeyXJWSAJYUBXQQDR-UHFFFAOYSA-M
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of dodecyl(trimethyl)azanium bromide?
The IUPAC name of dodecyl(trimethyl)azanium bromide (CID 14249) is dodecyl(trimethyl)azanium bromide.
What is the SMILES notation for dodecyl(trimethyl)azanium bromide?
The canonical SMILES for dodecyl(trimethyl)azanium bromide is CCCCCCCCCCCC[N+](C)(C)C.[Br-].
What is the InChIKey of dodecyl(trimethyl)azanium bromide?
The InChIKey is XJWSAJYUBXQQDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dodecyl(trimethyl)azanium bromide?
dodecyl(trimethyl)azanium bromide has a molecular weight of 308.35 g/mol, XLogP of 1.62, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(trimethyl)azanium bromide is sourced from PubChem (CID 14249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).