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

C6H17NO6S — CID 86076023

IUPAC2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid
SMILESCOCCNCCOC.O=S(=O)(O)O
InChIInChI=1S/C6H15NO2.H2O4S/c1-8-5-3-7-4-6-9-2;1-5(2,3)4/h7H,3-6H2,1-2H3;(H2,1,2,3,4)
InChIKeySZKDQFVCOKOMOV-UHFFFAOYSA-N
MW231.27 g/mol
LogP-0.78
Rot. Bonds6

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

2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid (PubChem CID 86076023) has the molecular formula C6H17NO6S and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid
PubChem CID86076023
Molecular FormulaC6H17NO6S
Molecular Weight231.27 g/mol
Exact Mass231.08
IUPAC Name2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid
SMILESCOCCNCCOC.O=S(=O)(O)O
InChIInChI=1S/C6H15NO2.H2O4S/c1-8-5-3-7-4-6-9-2;1-5(2,3)4/h7H,3-6H2,1-2H3;(H2,1,2,3,4)
InChIKeySZKDQFVCOKOMOV-UHFFFAOYSA-N
XLogP-0.78
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid (CID 86076023) is 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid is COCCNCCOC.O=S(=O)(O)O.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid?
The InChIKey is SZKDQFVCOKOMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.H2O4S/c1-8-5-3-7-4-6-9-2;1-5(2,3)4/h7H,3-6H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid?
2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid has a molecular weight of 231.27 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfuric acid is sourced from PubChem (CID 86076023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).