butyl(triethyl)azanium;hydrogen sulfate

C10H25NO4S — CID 71321691

IUPACbutyl(triethyl)azanium;hydrogen sulfate
SMILESCCCC[N+](CC)(CC)CC.O=S(=O)([O-])O
InChIInChI=1S/C10H24N.H2O4S/c1-5-9-10-11(6-2,7-3)8-4;1-5(2,3)4/h5-10H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyNCUCRVKJQWJFIE-UHFFFAOYSA-M
MW255.38 g/mol
LogP1.67
Rot. Bonds6

About butyl(triethyl)azanium;hydrogen sulfate

butyl(triethyl)azanium;hydrogen sulfate (PubChem CID 71321691) has the molecular formula C10H25NO4S and a molecular weight of 255.38 g/mol. Its IUPAC name is butyl(triethyl)azanium;hydrogen sulfate.

Molecular Properties

Compound Namebutyl(triethyl)azanium;hydrogen sulfate
PubChem CID71321691
Molecular FormulaC10H25NO4S
Molecular Weight255.38 g/mol
Exact Mass255.15
IUPAC Namebutyl(triethyl)azanium;hydrogen sulfate
SMILESCCCC[N+](CC)(CC)CC.O=S(=O)([O-])O
InChIInChI=1S/C10H24N.H2O4S/c1-5-9-10-11(6-2,7-3)8-4;1-5(2,3)4/h5-10H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyNCUCRVKJQWJFIE-UHFFFAOYSA-M
XLogP1.67
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tetrabutylammonium hydrogen sulfate
CID 94433
Tetraethylammonium hydrogen sulphate
CID 167582
Ethanamine, N,N-diethyl-, sulfate (1:?)
CID 171330
1-Hexanaminium, N,N,N-trihexyl-, sulfate (1:1)
CID 11015848
Tetrapropylammonium hydrogen sulfate
CID 16218669
1-Butanaminium, N,N-dibutyl-N-ethyl-, sulfate (1:1)
CID 106488
Dibutylsulfamic acid
CID 301003
Tetrabutylammonium sulfate
CID 11405013
Tetrabutylammonium hydrogen sulphite
CID 9836914
Hydroxy sulfate;tetrabutylazanium
CID 9928603
Tetrabutylammonium hydrogen monopersulfate
CID 21202877
Hexyltrimethyl ammonium bisulfate
CID 44721199

Frequently Asked Questions

What is the IUPAC name of butyl(triethyl)azanium;hydrogen sulfate?
The IUPAC name of butyl(triethyl)azanium;hydrogen sulfate (CID 71321691) is butyl(triethyl)azanium;hydrogen sulfate.
What is the SMILES notation for butyl(triethyl)azanium;hydrogen sulfate?
The canonical SMILES for butyl(triethyl)azanium;hydrogen sulfate is CCCC[N+](CC)(CC)CC.O=S(=O)([O-])O.
What is the InChIKey of butyl(triethyl)azanium;hydrogen sulfate?
The InChIKey is NCUCRVKJQWJFIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24N.H2O4S/c1-5-9-10-11(6-2,7-3)8-4;1-5(2,3)4/h5-10H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1.
What are the key properties of butyl(triethyl)azanium;hydrogen sulfate?
butyl(triethyl)azanium;hydrogen sulfate has a molecular weight of 255.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triethyl)azanium;hydrogen sulfate is sourced from PubChem (CID 71321691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).