hydron;tetrabutylazanium;hydrobromide

C16H38BrN+2 — CID 173127393

IUPAChydron;tetrabutylazanium;hydrobromide
SMILESBr.CCCC[N+](CCCC)(CCCC)CCCC.[H+]
InChIInChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p+1
InChIKeyJRMUNVKIHCOMHV-UHFFFAOYSA-O
MW324.39 g/mol
LogP5.69
Rot. Bonds12

About hydron;tetrabutylazanium;hydrobromide

hydron;tetrabutylazanium;hydrobromide (PubChem CID 173127393) has the molecular formula C16H38BrN+2 and a molecular weight of 324.39 g/mol. Its IUPAC name is hydron;tetrabutylazanium;hydrobromide.

Molecular Properties

Compound Namehydron;tetrabutylazanium;hydrobromide
PubChem CID173127393
Molecular FormulaC16H38BrN+2
Molecular Weight324.39 g/mol
Exact Mass323.22
IUPAC Namehydron;tetrabutylazanium;hydrobromide
SMILESBr.CCCC[N+](CCCC)(CCCC)CCCC.[H+]
InChIInChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p+1
InChIKeyJRMUNVKIHCOMHV-UHFFFAOYSA-O
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.39
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hydron;tetrabutylazanium;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

hydron;tetrabutylazanium;diiodide
CID 173281455
tetrabutylazanium;chloride;hydrobromide
CID 160850218
tetrabutylazanium;hydrobromide;dihydrochloride
CID 175588287
hydron;tetrabutylazanium;sulfide
CID 87064104
tetrabutylazanium;hydrobromide;hydrochloride
CID 174732596
potassium;hydride;tetrabutylazanium;hydrobromide
CID 174918225
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937
hydron;oxophosphane;tetrabutylazanium
CID 174884742
tetrabutylazanium;fluoride;dihydrate
CID 22343550

Frequently Asked Questions

What is the IUPAC name of hydron;tetrabutylazanium;hydrobromide?
The IUPAC name of hydron;tetrabutylazanium;hydrobromide (CID 173127393) is hydron;tetrabutylazanium;hydrobromide.
What is the SMILES notation for hydron;tetrabutylazanium;hydrobromide?
The canonical SMILES for hydron;tetrabutylazanium;hydrobromide is Br.CCCC[N+](CCCC)(CCCC)CCCC.[H+].
What is the InChIKey of hydron;tetrabutylazanium;hydrobromide?
The InChIKey is JRMUNVKIHCOMHV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p+1.
What are the key properties of hydron;tetrabutylazanium;hydrobromide?
hydron;tetrabutylazanium;hydrobromide has a molecular weight of 324.39 g/mol, XLogP of 5.69, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;tetrabutylazanium;hydrobromide is sourced from PubChem (CID 173127393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).