azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid

C22H54N2O8S2 — CID 174851908

IUPACazane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCC.N.O=S(=O)(O)O.O=S(=O)([O-])O
InChIInChI=1S/C22H48N.H3N.2H2O4S/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;;2*1-5(2,3)4/h5-22H2,1-4H3;1H3;2*(H2,1,2,3,4)/q+1;;;/p-1
InChIKeyZOUVGWCMNXXRJL-UHFFFAOYSA-M
MW538.81 g/mol
LogP5.86
Rot. Bonds18

About azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid

azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid (PubChem CID 174851908) has the molecular formula C22H54N2O8S2 and a molecular weight of 538.81 g/mol. Its IUPAC name is azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid.

Molecular Properties

Compound Nameazane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid
PubChem CID174851908
Molecular FormulaC22H54N2O8S2
Molecular Weight538.81 g/mol
Exact Mass538.33
IUPAC Nameazane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCC.N.O=S(=O)(O)O.O=S(=O)([O-])O
InChIInChI=1S/C22H48N.H3N.2H2O4S/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;;2*1-5(2,3)4/h5-22H2,1-4H3;1H3;2*(H2,1,2,3,4)/q+1;;;/p-1
InChIKeyZOUVGWCMNXXRJL-UHFFFAOYSA-M
XLogP5.86
TPSA187.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.81
LogP ≤ 55.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid 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

didecyl(dimethyl)azanium;hydrogen sulfate
CID 11618701
butyl-dimethyl-octylazanium;hydrogen sulfate
CID 122481748
didecyl(dimethyl)azanium;sulfuric acid
CID 174764452
dimethyl(dioctadecyl)azanium;sulfuric acid
CID 87145734
didecyl(dimethyl)azanium sulfate
CID 21195390
dimethyl(dioctadecyl)azanium;methanesulfonic acid
CID 18186056
decyl-hexyl-dimethylazanium;hydron;sulfate
CID 134207388
hexyl(trimethyl)azanium;hydrogen sulfate
CID 44721199
heptadecyl(trimethyl)azanium;hydrogen sulfate
CID 172690127
ethyl-dimethyl-octadecylazanium;sulfuric acid
CID 90169369
butyl(trihexadecyl)azanium;hydrogen sulfate
CID 140570198
12-[dimethyl(3-sulfopropyl)azaniumyl]dodecyl-dodecyl-dimethylazanium
CID 15497410

Frequently Asked Questions

What is the IUPAC name of azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid?
The IUPAC name of azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid (CID 174851908) is azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid.
What is the SMILES notation for azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid?
The canonical SMILES for azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid is CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.N.O=S(=O)(O)O.O=S(=O)([O-])O.
What is the InChIKey of azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid?
The InChIKey is ZOUVGWCMNXXRJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H48N.H3N.2H2O4S/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;;2*1-5(2,3)4/h5-22H2,1-4H3;1H3;2*(H2,1,2,3,4)/q+1;;;/p-1.
What are the key properties of azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid?
azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid has a molecular weight of 538.81 g/mol, XLogP of 5.86, 18 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;didecyl(dimethyl)azanium;hydrogen sulfate;sulfuric acid is sourced from PubChem (CID 174851908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).