didecyl-bis(2-hydroxyethyl)azanium hydroxide

C24H53NO3 — CID 118483057

IUPACdidecyl-bis(2-hydroxyethyl)azanium hydroxide
SMILESCCCCCCCCCC[N+](CCO)(CCO)CCCCCCCCCC.[OH-]
InChIInChI=1S/C24H52NO2.H2O/c1-3-5-7-9-11-13-15-17-19-25(21-23-26,22-24-27)20-18-16-14-12-10-8-6-4-2;/h26-27H,3-24H2,1-2H3;1H2/q+1;/p-1
InChIKeyKWHUGBOEGPIAJD-UHFFFAOYSA-M
MW403.69 g/mol
LogP5.89
Rot. Bonds22

About didecyl-bis(2-hydroxyethyl)azanium hydroxide

didecyl-bis(2-hydroxyethyl)azanium hydroxide (PubChem CID 118483057) has the molecular formula C24H53NO3 and a molecular weight of 403.69 g/mol. Its IUPAC name is didecyl-bis(2-hydroxyethyl)azanium hydroxide.

Molecular Properties

Compound Namedidecyl-bis(2-hydroxyethyl)azanium hydroxide
PubChem CID118483057
Molecular FormulaC24H53NO3
Molecular Weight403.69 g/mol
Exact Mass403.40
IUPAC Namedidecyl-bis(2-hydroxyethyl)azanium hydroxide
SMILESCCCCCCCCCC[N+](CCO)(CCO)CCCCCCCCCC.[OH-]
InChIInChI=1S/C24H52NO2.H2O/c1-3-5-7-9-11-13-15-17-19-25(21-23-26,22-24-27)20-18-16-14-12-10-8-6-4-2;/h26-27H,3-24H2,1-2H3;1H2/q+1;/p-1
InChIKeyKWHUGBOEGPIAJD-UHFFFAOYSA-M
XLogP5.89
TPSA70.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.69
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze didecyl-bis(2-hydroxyethyl)azanium hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 bromide
CID 19925944
tridodecyl(2-hydroxyethyl)azanium chloride
CID 19925946
dodecyl-[8-[dodecyl-bis(2-hydroxyethyl)azaniumyl]octyl]-bis(2-hydroxyethyl)azanium dibromide
CID 175685284
dibutyl-hexyl-(2-hydroxyethyl)azanium
CID 139954818
trihexyl(2-hydroxyethyl)azanium iodide
CID 89439534
diethyl-hexyl-(2-hydroxyethyl)azanium
CID 21128768
tridodecyl(12-hydroxydodecyl)azanium
CID 87522779

Frequently Asked Questions

What is the IUPAC name of didecyl-bis(2-hydroxyethyl)azanium hydroxide?
The IUPAC name of didecyl-bis(2-hydroxyethyl)azanium hydroxide (CID 118483057) is didecyl-bis(2-hydroxyethyl)azanium hydroxide.
What is the SMILES notation for didecyl-bis(2-hydroxyethyl)azanium hydroxide?
The canonical SMILES for didecyl-bis(2-hydroxyethyl)azanium hydroxide is CCCCCCCCCC[N+](CCO)(CCO)CCCCCCCCCC.[OH-].
What is the InChIKey of didecyl-bis(2-hydroxyethyl)azanium hydroxide?
The InChIKey is KWHUGBOEGPIAJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H52NO2.H2O/c1-3-5-7-9-11-13-15-17-19-25(21-23-26,22-24-27)20-18-16-14-12-10-8-6-4-2;/h26-27H,3-24H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of didecyl-bis(2-hydroxyethyl)azanium hydroxide?
didecyl-bis(2-hydroxyethyl)azanium hydroxide has a molecular weight of 403.69 g/mol, XLogP of 5.89, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl-bis(2-hydroxyethyl)azanium hydroxide is sourced from PubChem (CID 118483057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).