dibutyl-hexyl-(2-hydroxyethyl)azanium

C16H36NO+ — CID 139954818

IUPACdibutyl-hexyl-(2-hydroxyethyl)azanium
SMILESCCCCCC[N+](CCO)(CCCC)CCCC
InChIInChI=1S/C16H36NO/c1-4-7-10-11-14-17(15-16-18,12-8-5-2)13-9-6-3/h18H,4-16H2,1-3H3/q+1
InChIKeyFOVNEYKYAGETHV-UHFFFAOYSA-N
MW258.47 g/mol
LogP3.98
Rot. Bonds13

About dibutyl-hexyl-(2-hydroxyethyl)azanium

dibutyl-hexyl-(2-hydroxyethyl)azanium (PubChem CID 139954818) has the molecular formula C16H36NO+ and a molecular weight of 258.47 g/mol. Its IUPAC name is dibutyl-hexyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namedibutyl-hexyl-(2-hydroxyethyl)azanium
PubChem CID139954818
Molecular FormulaC16H36NO+
Molecular Weight258.47 g/mol
Exact Mass258.28
IUPAC Namedibutyl-hexyl-(2-hydroxyethyl)azanium
SMILESCCCCCC[N+](CCO)(CCCC)CCCC
InChIInChI=1S/C16H36NO/c1-4-7-10-11-14-17(15-16-18,12-8-5-2)13-9-6-3/h18H,4-16H2,1-3H3/q+1
InChIKeyFOVNEYKYAGETHV-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 53.98
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

dodecyl-bis(2-hydroxyethyl)-octylazanium
CID 23220556
hexyl-(2-hydroxyethyl)-dipentylazanium iodide
CID 139955217
tris(2-hydroxyethyl)-nonylazanium bromide
CID 175684736
2-hydroxyethyl(trioctyl)azanium chloride
CID 19925949
decyl-tris(2-hydroxyethyl)azanium chloride
CID 14854094
tridodecyl(2-hydroxyethyl)azanium chloride
CID 19925946
tridodecyl(2-hydroxyethyl)azanium bromide
CID 19925944
dodecyl-[8-[dodecyl-bis(2-hydroxyethyl)azaniumyl]octyl]-bis(2-hydroxyethyl)azanium dibromide
CID 175685284
trihexyl(2-hydroxyethyl)azanium iodide
CID 89439534
didecyl-bis(2-hydroxyethyl)azanium hydroxide
CID 118483057
diethyl-hexyl-(2-hydroxyethyl)azanium
CID 21128768
tributyl(10-hydroxydecyl)azanium
CID 86017062

Frequently Asked Questions

What is the IUPAC name of dibutyl-hexyl-(2-hydroxyethyl)azanium?
The IUPAC name of dibutyl-hexyl-(2-hydroxyethyl)azanium (CID 139954818) is dibutyl-hexyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for dibutyl-hexyl-(2-hydroxyethyl)azanium?
The canonical SMILES for dibutyl-hexyl-(2-hydroxyethyl)azanium is CCCCCC[N+](CCO)(CCCC)CCCC.
What is the InChIKey of dibutyl-hexyl-(2-hydroxyethyl)azanium?
The InChIKey is FOVNEYKYAGETHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36NO/c1-4-7-10-11-14-17(15-16-18,12-8-5-2)13-9-6-3/h18H,4-16H2,1-3H3/q+1.
What are the key properties of dibutyl-hexyl-(2-hydroxyethyl)azanium?
dibutyl-hexyl-(2-hydroxyethyl)azanium has a molecular weight of 258.47 g/mol, XLogP of 3.98, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-hexyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 139954818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).