tetrakis(4-hydroxybutyl)azanium

C16H36NO4+ — CID 19093141

IUPACtetrakis(4-hydroxybutyl)azanium
SMILESOCCCC[N+](CCCCO)(CCCCO)CCCCO
InChIInChI=1S/C16H36NO4/c18-13-5-1-9-17(10-2-6-14-19,11-3-7-15-20)12-4-8-16-21/h18-21H,1-16H2/q+1
InChIKeyYFPWEXOMGCYWIO-UHFFFAOYSA-N
MW306.47 g/mol
LogP0.89
Rot. Bonds16

About tetrakis(4-hydroxybutyl)azanium

tetrakis(4-hydroxybutyl)azanium (PubChem CID 19093141) has the molecular formula C16H36NO4+ and a molecular weight of 306.47 g/mol. Its IUPAC name is tetrakis(4-hydroxybutyl)azanium.

Molecular Properties

Compound Nametetrakis(4-hydroxybutyl)azanium
PubChem CID19093141
Molecular FormulaC16H36NO4+
Molecular Weight306.47 g/mol
Exact Mass306.26
IUPAC Nametetrakis(4-hydroxybutyl)azanium
SMILESOCCCC[N+](CCCCO)(CCCCO)CCCCO
InChIInChI=1S/C16H36NO4/c18-13-5-1-9-17(10-2-6-14-19,11-3-7-15-20)12-4-8-16-21/h18-21H,1-16H2/q+1
InChIKeyYFPWEXOMGCYWIO-UHFFFAOYSA-N
XLogP0.89
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

nickel(2+);tetrakis(4-hydroxybutyl)azanium
CID 159796209
tridodecyl(12-hydroxydodecyl)azanium
CID 87522779
trihexyl(4-hydroxybutyl)azanium
CID 139954036
tris(4-hydroxybutyl)-octylazanium
CID 175345336
tetrakis(3-hydroxypropyl)azanium chloride
CID 19093166
tributyl(10-hydroxydecyl)azanium
CID 86017062
trihexyl(4-hydroxybutyl)azanium iodide
CID 139954035
butyl-(3-hydroxypropyl)-dipentylazanium bromide
CID 139955349
triethyl(11-hydroxyundecyl)azanium bromide
CID 71366854
butyl-hexyl-(3-hydroxypropyl)-pentylazanium chloride
CID 139954430
dodecyl-bis(2-hydroxyethyl)-octylazanium
CID 23220556
hexyl-(2-hydroxyethyl)-dipentylazanium iodide
CID 139955217

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-hydroxybutyl)azanium?
The IUPAC name of tetrakis(4-hydroxybutyl)azanium (CID 19093141) is tetrakis(4-hydroxybutyl)azanium.
What is the SMILES notation for tetrakis(4-hydroxybutyl)azanium?
The canonical SMILES for tetrakis(4-hydroxybutyl)azanium is OCCCC[N+](CCCCO)(CCCCO)CCCCO.
What is the InChIKey of tetrakis(4-hydroxybutyl)azanium?
The InChIKey is YFPWEXOMGCYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36NO4/c18-13-5-1-9-17(10-2-6-14-19,11-3-7-15-20)12-4-8-16-21/h18-21H,1-16H2/q+1.
What are the key properties of tetrakis(4-hydroxybutyl)azanium?
tetrakis(4-hydroxybutyl)azanium has a molecular weight of 306.47 g/mol, XLogP of 0.89, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-hydroxybutyl)azanium is sourced from PubChem (CID 19093141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).