trimethyl(tetradecyl)azanium bromide

C17H38BrN — CID 14250

IUPACtrimethyl(tetradecyl)azanium bromide
SMILESCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C17H38N.BrH/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
InChIKeyCXRFDZFCGOPDTD-UHFFFAOYSA-M
MW336.40 g/mol
LogP2.40
Rot. Bonds13

About trimethyl(tetradecyl)azanium bromide

trimethyl(tetradecyl)azanium bromide (PubChem CID 14250) has the molecular formula C17H38BrN and a molecular weight of 336.40 g/mol. Its IUPAC name is trimethyl(tetradecyl)azanium bromide.

Molecular Properties

Compound Nametrimethyl(tetradecyl)azanium bromide
PubChem CID14250
Molecular FormulaC17H38BrN
Molecular Weight336.40 g/mol
Exact Mass335.22
IUPAC Nametrimethyl(tetradecyl)azanium bromide
SMILESCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C17H38N.BrH/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
InChIKeyCXRFDZFCGOPDTD-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 ≤ 500336.40
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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Frequently Asked Questions

What is the IUPAC name of trimethyl(tetradecyl)azanium bromide?
The IUPAC name of trimethyl(tetradecyl)azanium bromide (CID 14250) is trimethyl(tetradecyl)azanium bromide.
What is the SMILES notation for trimethyl(tetradecyl)azanium bromide?
The canonical SMILES for trimethyl(tetradecyl)azanium bromide is CCCCCCCCCCCCCC[N+](C)(C)C.[Br-].
What is the InChIKey of trimethyl(tetradecyl)azanium bromide?
The InChIKey is CXRFDZFCGOPDTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H38N.BrH/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 bromide?
trimethyl(tetradecyl)azanium bromide has a molecular weight of 336.40 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 bromide is sourced from PubChem (CID 14250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).