dodecyl-bis(2-hydroxyethyl)-octylazanium

C24H52NO2+ — CID 23220556

IUPACdodecyl-bis(2-hydroxyethyl)-octylazanium
SMILESCCCCCCCCCCCC[N+](CCO)(CCO)CCCCCCCC
InChIInChI=1S/C24H52NO2/c1-3-5-7-9-11-12-13-14-16-18-20-25(21-23-26,22-24-27)19-17-15-10-8-6-4-2/h26-27H,3-24H2,1-2H3/q+1
InChIKeyKZQDEJWBLQNGBK-UHFFFAOYSA-N
MW386.69 g/mol
LogP6.07
Rot. Bonds22

About dodecyl-bis(2-hydroxyethyl)-octylazanium

dodecyl-bis(2-hydroxyethyl)-octylazanium (PubChem CID 23220556) has the molecular formula C24H52NO2+ and a molecular weight of 386.69 g/mol. Its IUPAC name is dodecyl-bis(2-hydroxyethyl)-octylazanium.

Molecular Properties

Compound Namedodecyl-bis(2-hydroxyethyl)-octylazanium
PubChem CID23220556
Molecular FormulaC24H52NO2+
Molecular Weight386.69 g/mol
Exact Mass386.40
IUPAC Namedodecyl-bis(2-hydroxyethyl)-octylazanium
SMILESCCCCCCCCCCCC[N+](CCO)(CCO)CCCCCCCC
InChIInChI=1S/C24H52NO2/c1-3-5-7-9-11-12-13-14-16-18-20-25(21-23-26,22-24-27)19-17-15-10-8-6-4-2/h26-27H,3-24H2,1-2H3/q+1
InChIKeyKZQDEJWBLQNGBK-UHFFFAOYSA-N
XLogP6.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.69
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dodecyl-bis(2-hydroxyethyl)-octylazanium 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

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
didecyl-bis(2-hydroxyethyl)azanium hydroxide
CID 118483057
trihexyl(2-hydroxyethyl)azanium iodide
CID 89439534
hexyl-(2-hydroxyethyl)-dipentylazanium iodide
CID 139955217
diethyl-hexyl-(2-hydroxyethyl)azanium
CID 21128768
tridodecyl(12-hydroxydodecyl)azanium
CID 87522779

Frequently Asked Questions

What is the IUPAC name of dodecyl-bis(2-hydroxyethyl)-octylazanium?
The IUPAC name of dodecyl-bis(2-hydroxyethyl)-octylazanium (CID 23220556) is dodecyl-bis(2-hydroxyethyl)-octylazanium.
What is the SMILES notation for dodecyl-bis(2-hydroxyethyl)-octylazanium?
The canonical SMILES for dodecyl-bis(2-hydroxyethyl)-octylazanium is CCCCCCCCCCCC[N+](CCO)(CCO)CCCCCCCC.
What is the InChIKey of dodecyl-bis(2-hydroxyethyl)-octylazanium?
The InChIKey is KZQDEJWBLQNGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52NO2/c1-3-5-7-9-11-12-13-14-16-18-20-25(21-23-26,22-24-27)19-17-15-10-8-6-4-2/h26-27H,3-24H2,1-2H3/q+1.
What are the key properties of dodecyl-bis(2-hydroxyethyl)-octylazanium?
dodecyl-bis(2-hydroxyethyl)-octylazanium has a molecular weight of 386.69 g/mol, XLogP of 6.07, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-bis(2-hydroxyethyl)-octylazanium is sourced from PubChem (CID 23220556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).