tributyl-(2-hydroxy-4-oxopentyl)azanium

C17H36NO2+ — CID 129177890

IUPACtributyl-(2-hydroxy-4-oxopentyl)azanium
SMILESCCCC[N+](CCCC)(CCCC)CC(O)CC(C)=O
InChIInChI=1S/C17H36NO2/c1-5-8-11-18(12-9-6-2,13-10-7-3)15-17(20)14-16(4)19/h17,20H,5-15H2,1-4H3/q+1
InChIKeyCVCMKUBMPJKLBU-UHFFFAOYSA-N
MW286.48 g/mol
LogP3.54
Rot. Bonds13

About tributyl-(2-hydroxy-4-oxopentyl)azanium

tributyl-(2-hydroxy-4-oxopentyl)azanium (PubChem CID 129177890) has the molecular formula C17H36NO2+ and a molecular weight of 286.48 g/mol. Its IUPAC name is tributyl-(2-hydroxy-4-oxopentyl)azanium.

Molecular Properties

Compound Nametributyl-(2-hydroxy-4-oxopentyl)azanium
PubChem CID129177890
Molecular FormulaC17H36NO2+
Molecular Weight286.48 g/mol
Exact Mass286.27
IUPAC Nametributyl-(2-hydroxy-4-oxopentyl)azanium
SMILESCCCC[N+](CCCC)(CCCC)CC(O)CC(C)=O
InChIInChI=1S/C17H36NO2/c1-5-8-11-18(12-9-6-2,13-10-7-3)15-17(20)14-16(4)19/h17,20H,5-15H2,1-4H3/q+1
InChIKeyCVCMKUBMPJKLBU-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-2-hydroxypropyl)-tripentylazanium
CID 3026444
dibutyl-(4-carboxybutyl)-(2-hydroxyoctyl)azanium
CID 101276627
bis(tributyl(2-methylpropyl)azanium);carbonate
CID 175421775
2,3-dihydroxybutanedioic acid;tetrabutylazanium
CID 87904025
2-hydroxypropanoate;tetrabutylazanium
CID 15404302
bis(tetrabutylazanium);carbonate
CID 14746847
triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride
CID 71345851
tetrabutylazanium;urea;bromide
CID 158111645
bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427
2,2-dihydroxyethyl-dioctyl-tetradecylazanium iodide
CID 175062896
2-hydroxyethyl(trioctyl)azanium;tributyl(2-hydroxypropyl)azanium
CID 87894734
(3-chloro-2-hydroxypropyl)-diethyl-octadecylazanium
CID 21189265

Frequently Asked Questions

What is the IUPAC name of tributyl-(2-hydroxy-4-oxopentyl)azanium?
The IUPAC name of tributyl-(2-hydroxy-4-oxopentyl)azanium (CID 129177890) is tributyl-(2-hydroxy-4-oxopentyl)azanium.
What is the SMILES notation for tributyl-(2-hydroxy-4-oxopentyl)azanium?
The canonical SMILES for tributyl-(2-hydroxy-4-oxopentyl)azanium is CCCC[N+](CCCC)(CCCC)CC(O)CC(C)=O.
What is the InChIKey of tributyl-(2-hydroxy-4-oxopentyl)azanium?
The InChIKey is CVCMKUBMPJKLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36NO2/c1-5-8-11-18(12-9-6-2,13-10-7-3)15-17(20)14-16(4)19/h17,20H,5-15H2,1-4H3/q+1.
What are the key properties of tributyl-(2-hydroxy-4-oxopentyl)azanium?
tributyl-(2-hydroxy-4-oxopentyl)azanium has a molecular weight of 286.48 g/mol, XLogP of 3.54, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-hydroxy-4-oxopentyl)azanium is sourced from PubChem (CID 129177890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).