triethyl(hexyl)azanium bromide

C12H28BrN — CID 10825627

IUPACtriethyl(hexyl)azanium bromide
SMILESCCCCCC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C12H28N.BrH/c1-5-9-10-11-12-13(6-2,7-3)8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKeyNAWZSHBMUXXTGV-UHFFFAOYSA-M
MW266.27 g/mol
LogP0.45
Rot. Bonds8

About triethyl(hexyl)azanium bromide

triethyl(hexyl)azanium bromide (PubChem CID 10825627) has the molecular formula C12H28BrN and a molecular weight of 266.27 g/mol. Its IUPAC name is triethyl(hexyl)azanium bromide.

Molecular Properties

Compound Nametriethyl(hexyl)azanium bromide
PubChem CID10825627
Molecular FormulaC12H28BrN
Molecular Weight266.27 g/mol
Exact Mass265.14
IUPAC Nametriethyl(hexyl)azanium bromide
SMILESCCCCCC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C12H28N.BrH/c1-5-9-10-11-12-13(6-2,7-3)8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKeyNAWZSHBMUXXTGV-UHFFFAOYSA-M
XLogP0.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.45
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 triethyl(hexyl)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

Frequently Asked Questions

What is the IUPAC name of triethyl(hexyl)azanium bromide?
The IUPAC name of triethyl(hexyl)azanium bromide (CID 10825627) is triethyl(hexyl)azanium bromide.
What is the SMILES notation for triethyl(hexyl)azanium bromide?
The canonical SMILES for triethyl(hexyl)azanium bromide is CCCCCC[N+](CC)(CC)CC.[Br-].
What is the InChIKey of triethyl(hexyl)azanium bromide?
The InChIKey is NAWZSHBMUXXTGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28N.BrH/c1-5-9-10-11-12-13(6-2,7-3)8-4;/h5-12H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethyl(hexyl)azanium bromide?
triethyl(hexyl)azanium bromide has a molecular weight of 266.27 g/mol, XLogP of 0.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(hexyl)azanium bromide is sourced from PubChem (CID 10825627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).