tributyl(10-hydroxydecyl)azanium

C22H48NO+ — CID 86017062

IUPACtributyl(10-hydroxydecyl)azanium
SMILESCCCC[N+](CCCC)(CCCC)CCCCCCCCCCO
InChIInChI=1S/C22H48NO/c1-4-7-18-23(19-8-5-2,20-9-6-3)21-16-14-12-10-11-13-15-17-22-24/h24H,4-22H2,1-3H3/q+1
InChIKeyLZLGKHWZYAOTFP-UHFFFAOYSA-N
MW342.63 g/mol
LogP6.32
Rot. Bonds19

About tributyl(10-hydroxydecyl)azanium

tributyl(10-hydroxydecyl)azanium (PubChem CID 86017062) has the molecular formula C22H48NO+ and a molecular weight of 342.63 g/mol. Its IUPAC name is tributyl(10-hydroxydecyl)azanium.

Molecular Properties

Compound Nametributyl(10-hydroxydecyl)azanium
PubChem CID86017062
Molecular FormulaC22H48NO+
Molecular Weight342.63 g/mol
Exact Mass342.37
IUPAC Nametributyl(10-hydroxydecyl)azanium
SMILESCCCC[N+](CCCC)(CCCC)CCCCCCCCCCO
InChIInChI=1S/C22H48NO/c1-4-7-18-23(19-8-5-2,20-9-6-3)21-16-14-12-10-11-13-15-17-22-24/h24H,4-22H2,1-3H3/q+1
InChIKeyLZLGKHWZYAOTFP-UHFFFAOYSA-N
XLogP6.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.63
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tridodecyl(12-hydroxydodecyl)azanium
CID 87522779
trihexyl(4-hydroxybutyl)azanium
CID 139954036
tris(4-hydroxybutyl)-octylazanium
CID 175345336
trihexyl(4-hydroxybutyl)azanium iodide
CID 139954035
butyl-hexyl-(3-hydroxypropyl)-pentylazanium chloride
CID 139954430
dibutyl-hexyl-(2-hydroxyethyl)azanium
CID 139954818
butyl-(3-hydroxypropyl)-dipentylazanium bromide
CID 139955349
dodecyl-bis(2-hydroxyethyl)-octylazanium
CID 23220556
tributyl(triacontyl)azanium
CID 153322884
tributyl(heptyl)azanium
CID 5003685
tributyl(hexadecyl)azanium
CID 3083031
dibutyl(diheptyl)azanium
CID 87534229

Frequently Asked Questions

What is the IUPAC name of tributyl(10-hydroxydecyl)azanium?
The IUPAC name of tributyl(10-hydroxydecyl)azanium (CID 86017062) is tributyl(10-hydroxydecyl)azanium.
What is the SMILES notation for tributyl(10-hydroxydecyl)azanium?
The canonical SMILES for tributyl(10-hydroxydecyl)azanium is CCCC[N+](CCCC)(CCCC)CCCCCCCCCCO.
What is the InChIKey of tributyl(10-hydroxydecyl)azanium?
The InChIKey is LZLGKHWZYAOTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48NO/c1-4-7-18-23(19-8-5-2,20-9-6-3)21-16-14-12-10-11-13-15-17-22-24/h24H,4-22H2,1-3H3/q+1.
What are the key properties of tributyl(10-hydroxydecyl)azanium?
tributyl(10-hydroxydecyl)azanium has a molecular weight of 342.63 g/mol, XLogP of 6.32, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(10-hydroxydecyl)azanium is sourced from PubChem (CID 86017062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).