tetrabutylazanium;perchlorate;hydrobromide

C16H37BrClNO4 — CID 173079032

IUPACtetrabutylazanium;perchlorate;hydrobromide
SMILESBr.CCCC[N+](CCCC)(CCCC)CCCC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C16H36N.BrH.ClHO4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;2-1(3,4)5/h5-16H2,1-4H3;1H;(H,2,3,4,5)/q+1;;/p-1
InChIKeyNIVHEBGHZNUXSF-UHFFFAOYSA-M
MW422.83 g/mol
LogP0.83
Rot. Bonds12

About tetrabutylazanium;perchlorate;hydrobromide

tetrabutylazanium;perchlorate;hydrobromide (PubChem CID 173079032) has the molecular formula C16H37BrClNO4 and a molecular weight of 422.83 g/mol. Its IUPAC name is tetrabutylazanium;perchlorate;hydrobromide.

Molecular Properties

Compound Nametetrabutylazanium;perchlorate;hydrobromide
PubChem CID173079032
Molecular FormulaC16H37BrClNO4
Molecular Weight422.83 g/mol
Exact Mass421.16
IUPAC Nametetrabutylazanium;perchlorate;hydrobromide
SMILESBr.CCCC[N+](CCCC)(CCCC)CCCC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C16H36N.BrH.ClHO4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;2-1(3,4)5/h5-16H2,1-4H3;1H;(H,2,3,4,5)/q+1;;/p-1
InChIKeyNIVHEBGHZNUXSF-UHFFFAOYSA-M
XLogP0.83
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.83
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diheptyl(dihexyl)azanium perchlorate
CID 57349972
tetrabutylazanium;chloride;hydrobromide
CID 160850218
tetrabutylazanium;hydrobromide;dihydrochloride
CID 175588287
hydron;tetrabutylazanium;hydrobromide
CID 173127393
tetrabutylazanium;hydrobromide;hydrochloride
CID 174732596
potassium;hydride;tetrabutylazanium;hydrobromide
CID 174918225
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644
ethanol;tetrabutylazanium;chloride
CID 175552872
tributyl(triacontyl)azanium
CID 153322884

Frequently Asked Questions

What is the IUPAC name of tetrabutylazanium;perchlorate;hydrobromide?
The IUPAC name of tetrabutylazanium;perchlorate;hydrobromide (CID 173079032) is tetrabutylazanium;perchlorate;hydrobromide.
What is the SMILES notation for tetrabutylazanium;perchlorate;hydrobromide?
The canonical SMILES for tetrabutylazanium;perchlorate;hydrobromide is Br.CCCC[N+](CCCC)(CCCC)CCCC.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of tetrabutylazanium;perchlorate;hydrobromide?
The InChIKey is NIVHEBGHZNUXSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.BrH.ClHO4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;2-1(3,4)5/h5-16H2,1-4H3;1H;(H,2,3,4,5)/q+1;;/p-1.
What are the key properties of tetrabutylazanium;perchlorate;hydrobromide?
tetrabutylazanium;perchlorate;hydrobromide has a molecular weight of 422.83 g/mol, XLogP of 0.83, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylazanium;perchlorate;hydrobromide is sourced from PubChem (CID 173079032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).