bis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride

C12H32BrClN2O4 — CID 173051166

IUPACbis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride
SMILESBr.COCCNCCOC.COCCNCCOC.Cl
InChIInChI=1S/2C6H15NO2.BrH.ClH/c2*1-8-5-3-7-4-6-9-2;;/h2*7H,3-6H2,1-2H3;2*1H
InChIKeyCMNIKXFOPNQSAE-UHFFFAOYSA-N
MW383.76 g/mol
LogP0.74
Rot. Bonds12

About bis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride

bis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride (PubChem CID 173051166) has the molecular formula C12H32BrClN2O4 and a molecular weight of 383.76 g/mol. Its IUPAC name is bis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride.

Molecular Properties

Compound Namebis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride
PubChem CID173051166
Molecular FormulaC12H32BrClN2O4
Molecular Weight383.76 g/mol
Exact Mass382.12
IUPAC Namebis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride
SMILESBr.COCCNCCOC.COCCNCCOC.Cl
InChIInChI=1S/2C6H15NO2.BrH.ClH/c2*1-8-5-3-7-4-6-9-2;;/h2*7H,3-6H2,1-2H3;2*1H
InChIKeyCMNIKXFOPNQSAE-UHFFFAOYSA-N
XLogP0.74
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride?
The IUPAC name of bis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride (CID 173051166) is bis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride.
What is the SMILES notation for bis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride?
The canonical SMILES for bis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride is Br.COCCNCCOC.COCCNCCOC.Cl.
What is the InChIKey of bis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride?
The InChIKey is CMNIKXFOPNQSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15NO2.BrH.ClH/c2*1-8-5-3-7-4-6-9-2;;/h2*7H,3-6H2,1-2H3;2*1H.
What are the key properties of bis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride?
bis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride has a molecular weight of 383.76 g/mol, XLogP of 0.74, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxy-N-(2-methoxyethyl)ethanamine);hydrobromide;hydrochloride is sourced from PubChem (CID 173051166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).