tributyl(hydroxymethyl)azanium

C13H30NO+ — CID 59817115

IUPACtributyl(hydroxymethyl)azanium
SMILESCCCC[N+](CO)(CCCC)CCCC
InChIInChI=1S/C13H30NO/c1-4-7-10-14(13-15,11-8-5-2)12-9-6-3/h15H,4-13H2,1-3H3/q+1
InChIKeyWODRZXVHZAQLGS-UHFFFAOYSA-N
MW216.39 g/mol
LogP3.15
Rot. Bonds10

About tributyl(hydroxymethyl)azanium

tributyl(hydroxymethyl)azanium (PubChem CID 59817115) has the molecular formula C13H30NO+ and a molecular weight of 216.39 g/mol. Its IUPAC name is tributyl(hydroxymethyl)azanium.

Molecular Properties

Compound Nametributyl(hydroxymethyl)azanium
PubChem CID59817115
Molecular FormulaC13H30NO+
Molecular Weight216.39 g/mol
Exact Mass216.23
IUPAC Nametributyl(hydroxymethyl)azanium
SMILESCCCC[N+](CO)(CCCC)CCCC
InChIInChI=1S/C13H30NO/c1-4-7-10-14(13-15,11-8-5-2)12-9-6-3/h15H,4-13H2,1-3H3/q+1
InChIKeyWODRZXVHZAQLGS-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

butyl-(hydroxymethyl)-dipentylazanium bromide
CID 139955431
butyl-hexyl-(hydroxymethyl)-pentylazanium
CID 139955720
ethanol;tetrabutylazanium;chloride
CID 175552872
hydroxymethyl(tripropyl)azanium
CID 54406855
tridodecyl(hydroxymethyl)azanium tetrafluoroborate
CID 141323038
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937
butyl-(3-hydroxypropyl)-dipentylazanium bromide
CID 139955349
dibutyl-hexyl-(2-hydroxyethyl)azanium
CID 139954818
tributyl(10-hydroxydecyl)azanium
CID 86017062

Frequently Asked Questions

What is the IUPAC name of tributyl(hydroxymethyl)azanium?
The IUPAC name of tributyl(hydroxymethyl)azanium (CID 59817115) is tributyl(hydroxymethyl)azanium.
What is the SMILES notation for tributyl(hydroxymethyl)azanium?
The canonical SMILES for tributyl(hydroxymethyl)azanium is CCCC[N+](CO)(CCCC)CCCC.
What is the InChIKey of tributyl(hydroxymethyl)azanium?
The InChIKey is WODRZXVHZAQLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30NO/c1-4-7-10-14(13-15,11-8-5-2)12-9-6-3/h15H,4-13H2,1-3H3/q+1.
What are the key properties of tributyl(hydroxymethyl)azanium?
tributyl(hydroxymethyl)azanium has a molecular weight of 216.39 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(hydroxymethyl)azanium is sourced from PubChem (CID 59817115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).