dipropylazanium;hydrogen sulfate

C6H17NO4S — CID 146001277

IUPACdipropylazanium;hydrogen sulfate
SMILESCCC[NH2+]CCC.O=S(=O)([O-])O
InChIInChI=1S/C6H15N.H2O4S/c1-3-5-7-6-4-2;1-5(2,3)4/h7H,3-6H2,1-2H3;(H2,1,2,3,4)
InChIKeyYZSQSEPGRKKUOO-UHFFFAOYSA-N
MW199.27 g/mol
LogP-0.63
Rot. Bonds4

About dipropylazanium;hydrogen sulfate

dipropylazanium;hydrogen sulfate (PubChem CID 146001277) has the molecular formula C6H17NO4S and a molecular weight of 199.27 g/mol. Its IUPAC name is dipropylazanium;hydrogen sulfate.

Molecular Properties

Compound Namedipropylazanium;hydrogen sulfate
PubChem CID146001277
Molecular FormulaC6H17NO4S
Molecular Weight199.27 g/mol
Exact Mass199.09
IUPAC Namedipropylazanium;hydrogen sulfate
SMILESCCC[NH2+]CCC.O=S(=O)([O-])O
InChIInChI=1S/C6H15N.H2O4S/c1-3-5-7-6-4-2;1-5(2,3)4/h7H,3-6H2,1-2H3;(H2,1,2,3,4)
InChIKeyYZSQSEPGRKKUOO-UHFFFAOYSA-N
XLogP-0.63
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipropylazanium;hydrogen sulfate?
The IUPAC name of dipropylazanium;hydrogen sulfate (CID 146001277) is dipropylazanium;hydrogen sulfate.
What is the SMILES notation for dipropylazanium;hydrogen sulfate?
The canonical SMILES for dipropylazanium;hydrogen sulfate is CCC[NH2+]CCC.O=S(=O)([O-])O.
What is the InChIKey of dipropylazanium;hydrogen sulfate?
The InChIKey is YZSQSEPGRKKUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.H2O4S/c1-3-5-7-6-4-2;1-5(2,3)4/h7H,3-6H2,1-2H3;(H2,1,2,3,4).
What are the key properties of dipropylazanium;hydrogen sulfate?
dipropylazanium;hydrogen sulfate has a molecular weight of 199.27 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylazanium;hydrogen sulfate is sourced from PubChem (CID 146001277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).