tetrabutylazanium;chloride;hydrobromide

C16H37BrClN — CID 160850218

IUPACtetrabutylazanium;chloride;hydrobromide
SMILESBr.CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]
InChIInChI=1S/C16H36N.BrH.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;/p-1
InChIKeySJDXDQQSKGKRLJ-UHFFFAOYSA-M
MW358.84 g/mol
LogP2.59
Rot. Bonds12

About tetrabutylazanium;chloride;hydrobromide

tetrabutylazanium;chloride;hydrobromide (PubChem CID 160850218) has the molecular formula C16H37BrClN and a molecular weight of 358.84 g/mol. Its IUPAC name is tetrabutylazanium;chloride;hydrobromide.

Molecular Properties

Compound Nametetrabutylazanium;chloride;hydrobromide
PubChem CID160850218
Molecular FormulaC16H37BrClN
Molecular Weight358.84 g/mol
Exact Mass357.18
IUPAC Nametetrabutylazanium;chloride;hydrobromide
SMILESBr.CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]
InChIInChI=1S/C16H36N.BrH.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;/p-1
InChIKeySJDXDQQSKGKRLJ-UHFFFAOYSA-M
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.84
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze tetrabutylazanium;chloride;hydrobromide 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

bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427
gold(3+);tetrabutylazanium;tetrachloride
CID 25141921
iron;tetrabutylazanium;chloride
CID 157427266
tetrabutylazanium;hydrobromide;dihydrochloride
CID 175588287
tetrabutylazanium;hydrobromide;hydrochloride
CID 174732596
hydron;tetrabutylazanium;hydrobromide
CID 173127393
potassium;hydride;tetrabutylazanium;hydrobromide
CID 174918225
dibutyl(dihexadecyl)azanium chloride
CID 87778770
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644

Frequently Asked Questions

What is the IUPAC name of tetrabutylazanium;chloride;hydrobromide?
The IUPAC name of tetrabutylazanium;chloride;hydrobromide (CID 160850218) is tetrabutylazanium;chloride;hydrobromide.
What is the SMILES notation for tetrabutylazanium;chloride;hydrobromide?
The canonical SMILES for tetrabutylazanium;chloride;hydrobromide is Br.CCCC[N+](CCCC)(CCCC)CCCC.[Cl-].
What is the InChIKey of tetrabutylazanium;chloride;hydrobromide?
The InChIKey is SJDXDQQSKGKRLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.BrH.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;/p-1.
What are the key properties of tetrabutylazanium;chloride;hydrobromide?
tetrabutylazanium;chloride;hydrobromide has a molecular weight of 358.84 g/mol, XLogP of 2.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylazanium;chloride;hydrobromide is sourced from PubChem (CID 160850218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).