bis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid

C12H32N2O8S — CID 173051320

IUPACbis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid
SMILESCOC(C)NC(C)OC.COC(C)NC(C)OC.O=S(=O)(O)O
InChIInChI=1S/2C6H15NO2.H2O4S/c2*1-5(8-3)7-6(2)9-4;1-5(2,3)4/h2*5-7H,1-4H3;(H2,1,2,3,4)
InChIKeyWLZTZPUMUBBVJF-UHFFFAOYSA-N
MW364.46 g/mol
LogP0.47
Rot. Bonds8

About bis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid

bis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid (PubChem CID 173051320) has the molecular formula C12H32N2O8S and a molecular weight of 364.46 g/mol. Its IUPAC name is bis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid.

Molecular Properties

Compound Namebis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid
PubChem CID173051320
Molecular FormulaC12H32N2O8S
Molecular Weight364.46 g/mol
Exact Mass364.19
IUPAC Namebis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid
SMILESCOC(C)NC(C)OC.COC(C)NC(C)OC.O=S(=O)(O)O
InChIInChI=1S/2C6H15NO2.H2O4S/c2*1-5(8-3)7-6(2)9-4;1-5(2,3)4/h2*5-7H,1-4H3;(H2,1,2,3,4)
InChIKeyWLZTZPUMUBBVJF-UHFFFAOYSA-N
XLogP0.47
TPSA135.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid?
The IUPAC name of bis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid (CID 173051320) is bis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid.
What is the SMILES notation for bis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid?
The canonical SMILES for bis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid is COC(C)NC(C)OC.COC(C)NC(C)OC.O=S(=O)(O)O.
What is the InChIKey of bis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid?
The InChIKey is WLZTZPUMUBBVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15NO2.H2O4S/c2*1-5(8-3)7-6(2)9-4;1-5(2,3)4/h2*5-7H,1-4H3;(H2,1,2,3,4).
What are the key properties of bis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid?
bis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid has a molecular weight of 364.46 g/mol, XLogP of 0.47, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methoxy-N-(1-methoxyethyl)ethanamine);sulfuric acid is sourced from PubChem (CID 173051320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).