bis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid

C12H32N2O8S — CID 86076019

IUPACbis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid
SMILESCOCCNCCOC.COCCNCCOC.O=S(=O)(O)O
InChIInChI=1S/2C6H15NO2.H2O4S/c2*1-8-5-3-7-4-6-9-2;1-5(2,3)4/h2*7H,3-6H2,1-2H3;(H2,1,2,3,4)
InChIKeyPGVGRGFOLQZULZ-UHFFFAOYSA-N
MW364.46 g/mol
LogP-0.92
Rot. Bonds12

About bis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid

bis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid (PubChem CID 86076019) has the molecular formula C12H32N2O8S and a molecular weight of 364.46 g/mol. Its IUPAC name is bis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid.

Molecular Properties

Compound Namebis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid
PubChem CID86076019
Molecular FormulaC12H32N2O8S
Molecular Weight364.46 g/mol
Exact Mass364.19
IUPAC Namebis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid
SMILESCOCCNCCOC.COCCNCCOC.O=S(=O)(O)O
InChIInChI=1S/2C6H15NO2.H2O4S/c2*1-8-5-3-7-4-6-9-2;1-5(2,3)4/h2*7H,3-6H2,1-2H3;(H2,1,2,3,4)
InChIKeyPGVGRGFOLQZULZ-UHFFFAOYSA-N
XLogP-0.92
TPSA135.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid?
The IUPAC name of bis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid (CID 86076019) is bis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid.
What is the SMILES notation for bis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid?
The canonical SMILES for bis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid is COCCNCCOC.COCCNCCOC.O=S(=O)(O)O.
What is the InChIKey of bis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid?
The InChIKey is PGVGRGFOLQZULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15NO2.H2O4S/c2*1-8-5-3-7-4-6-9-2;1-5(2,3)4/h2*7H,3-6H2,1-2H3;(H2,1,2,3,4).
What are the key properties of bis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid?
bis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid has a molecular weight of 364.46 g/mol, XLogP of -0.92, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxy-N-(2-methoxyethyl)ethanamine);sulfuric acid is sourced from PubChem (CID 86076019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).