ethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate

C10H24N2O5S — CID 158517385

IUPACethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate
SMILESCCC(NC=O)[N+](C)(C)CC.CCOS(=O)(=O)[O-]
InChIInChI=1S/C8H18N2O.C2H6O4S/c1-5-8(9-7-11)10(3,4)6-2;1-2-6-7(3,4)5/h7-8H,5-6H2,1-4H3;2H2,1H3,(H,3,4,5)
InChIKeyLCBJPLKNJTVMCC-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.05
Rot. Bonds7

About ethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate

ethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate (PubChem CID 158517385) has the molecular formula C10H24N2O5S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate.

Molecular Properties

Compound Nameethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate
PubChem CID158517385
Molecular FormulaC10H24N2O5S
Molecular Weight284.38 g/mol
Exact Mass284.14
IUPAC Nameethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate
SMILESCCC(NC=O)[N+](C)(C)CC.CCOS(=O)(=O)[O-]
InChIInChI=1S/C8H18N2O.C2H6O4S/c1-5-8(9-7-11)10(3,4)6-2;1-2-6-7(3,4)5/h7-8H,5-6H2,1-4H3;2H2,1H3,(H,3,4,5)
InChIKeyLCBJPLKNJTVMCC-UHFFFAOYSA-N
XLogP0.05
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 ethyl-(1-formamidopropyl)-dimethylazanium;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

Frequently Asked Questions

What is the IUPAC name of ethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate?
The IUPAC name of ethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate (CID 158517385) is ethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate.
What is the SMILES notation for ethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate?
The canonical SMILES for ethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate is CCC(NC=O)[N+](C)(C)CC.CCOS(=O)(=O)[O-].
What is the InChIKey of ethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate?
The InChIKey is LCBJPLKNJTVMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C2H6O4S/c1-5-8(9-7-11)10(3,4)6-2;1-2-6-7(3,4)5/h7-8H,5-6H2,1-4H3;2H2,1H3,(H,3,4,5).
What are the key properties of ethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate?
ethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate has a molecular weight of 284.38 g/mol, XLogP of 0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(1-formamidopropyl)-dimethylazanium;ethyl sulfate is sourced from PubChem (CID 158517385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).