azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate

C24H56N2O8S — CID 173372247

IUPACazane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate
SMILESCCCCCCCCCCCCCCOCC(O)C[N+](C)(CCO)CCO.CCOS(=O)(=O)[O-].N
InChIInChI=1S/C22H48NO4.C2H6O4S.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-27-21-22(26)20-23(2,15-17-24)16-18-25;1-2-6-7(3,4)5;/h22,24-26H,3-21H2,1-2H3;2H2,1H3,(H,3,4,5);1H3/q+1;;/p-1
InChIKeyQMFCQZDPXSAEAW-UHFFFAOYSA-M
MW532.79 g/mol
LogP3.14
Rot. Bonds23

About azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate

azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate (PubChem CID 173372247) has the molecular formula C24H56N2O8S and a molecular weight of 532.79 g/mol. Its IUPAC name is azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate.

Molecular Properties

Compound Nameazane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate
PubChem CID173372247
Molecular FormulaC24H56N2O8S
Molecular Weight532.79 g/mol
Exact Mass532.38
IUPAC Nameazane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate
SMILESCCCCCCCCCCCCCCOCC(O)C[N+](C)(CCO)CCO.CCOS(=O)(=O)[O-].N
InChIInChI=1S/C22H48NO4.C2H6O4S.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-27-21-22(26)20-23(2,15-17-24)16-18-25;1-2-6-7(3,4)5;/h22,24-26H,3-21H2,1-2H3;2H2,1H3,(H,3,4,5);1H3/q+1;;/p-1
InChIKeyQMFCQZDPXSAEAW-UHFFFAOYSA-M
XLogP3.14
TPSA171.35 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.79
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate 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

magnesium bis((3-dodecoxy-2-hydroxypropyl) sulfate)
CID 139033056
(2-hydroxy-3-octadecoxypropyl)-dimethyl-octadecylazanium;methyl sulfate
CID 88503358
[3-[2-[2-[2-[3-[didodecyl(methyl)azaniumyl]-2-hydroxypropoxy]ethoxy]ethoxy]ethoxy]-2-hydroxypropyl]-didodecyl-methylazanium
CID 100954703
ethyl-hexadecyl-(2-hydroxy-3-tridecoxypropyl)-methylazanium chloride
CID 139898647
(3-dodecoxy-2-hydroxypropyl)-trimethylazanium chloride
CID 86243846
(2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride
CID 88503365
(3-hexadecoxy-2-hydroxypropyl) phosphate;bis(2-hydroxyethyl(trimethyl)azanium)
CID 174936569
[3-(2-hexadecoxyethoxy)-2-hydroxypropyl]-trimethylazanium
CID 100925499
[2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium
CID 15825767
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602
(3-dodecoxy-2-hydroxypropyl)-[4-[(3-dodecoxy-2-hydroxypropyl)-dimethylazaniumyl]butyl]-dimethylazanium dibromide
CID 175686312
2-dodecoxyethyl-bis(2-hydroxyethyl)-methylazanium
CID 139716436

Frequently Asked Questions

What is the IUPAC name of azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate?
The IUPAC name of azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate (CID 173372247) is azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate.
What is the SMILES notation for azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate?
The canonical SMILES for azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate is CCCCCCCCCCCCCCOCC(O)C[N+](C)(CCO)CCO.CCOS(=O)(=O)[O-].N.
What is the InChIKey of azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate?
The InChIKey is QMFCQZDPXSAEAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H48NO4.C2H6O4S.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-27-21-22(26)20-23(2,15-17-24)16-18-25;1-2-6-7(3,4)5;/h22,24-26H,3-21H2,1-2H3;2H2,1H3,(H,3,4,5);1H3/q+1;;/p-1.
What are the key properties of azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate?
azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate has a molecular weight of 532.79 g/mol, XLogP of 3.14, 23 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(2-hydroxyethyl)-(2-hydroxy-3-tetradecoxypropyl)-methylazanium;ethyl sulfate is sourced from PubChem (CID 173372247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).