tetrabutylazanium hydroxide

C16H37NO — CID 2723671

IUPACtetrabutylazanium hydroxide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[OH-]
InChIInChI=1S/C16H36N.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1
InChIKeyVDZOOKBUILJEDG-UHFFFAOYSA-M
MW259.48 g/mol
LogP4.83
Rot. Bonds12

About tetrabutylazanium hydroxide

tetrabutylazanium hydroxide (PubChem CID 2723671) has the molecular formula C16H37NO and a molecular weight of 259.48 g/mol. Its IUPAC name is tetrabutylazanium hydroxide.

Molecular Properties

Compound Nametetrabutylazanium hydroxide
PubChem CID2723671
Molecular FormulaC16H37NO
Molecular Weight259.48 g/mol
Exact Mass259.29
IUPAC Nametetrabutylazanium hydroxide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[OH-]
InChIInChI=1S/C16H36N.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1
InChIKeyVDZOOKBUILJEDG-UHFFFAOYSA-M
XLogP4.83
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.48
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide
CID 21458250
azane;phosphane;tetrabutylazanium;hydroxide
CID 174846228
tributyl-[6-(tributylazaniumyl)hexyl]azanium dihydroxide
CID 15376281
tetrabutylazanium;pentahydrate
CID 173386676
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937
tributyl(triacontyl)azanium
CID 153322884
gold(3+);tetrabutylazanium;tetrachloride
CID 25141921
dibutyl(diheptyl)azanium
CID 87534229
hydron;tetrabutylazanium;diiodide
CID 173281455
phosphane;tetrabutylazanium;fluoride
CID 174703499
bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427

Frequently Asked Questions

What is the IUPAC name of tetrabutylazanium hydroxide?
The IUPAC name of tetrabutylazanium hydroxide (CID 2723671) is tetrabutylazanium hydroxide.
What is the SMILES notation for tetrabutylazanium hydroxide?
The canonical SMILES for tetrabutylazanium hydroxide is CCCC[N+](CCCC)(CCCC)CCCC.[OH-].
What is the InChIKey of tetrabutylazanium hydroxide?
The InChIKey is VDZOOKBUILJEDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of tetrabutylazanium hydroxide?
tetrabutylazanium hydroxide has a molecular weight of 259.48 g/mol, XLogP of 4.83, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylazanium hydroxide is sourced from PubChem (CID 2723671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).