2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine

C8H19NO3 — CID 12621265

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine
SMILESCNCCOCCOCCOC
InChIInChI=1S/C8H19NO3/c1-9-3-4-11-7-8-12-6-5-10-2/h9H,3-8H2,1-2H3
InChIKeyXOTTZADIXWMSNG-UHFFFAOYSA-N
MW177.24 g/mol
LogP-0.11
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine

2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine (PubChem CID 12621265) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine
PubChem CID12621265
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine
SMILESCNCCOCCOCCOC
InChIInChI=1S/C8H19NO3/c1-9-3-4-11-7-8-12-6-5-10-2/h9H,3-8H2,1-2H3
InChIKeyXOTTZADIXWMSNG-UHFFFAOYSA-N
XLogP-0.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine (CID 12621265) is 2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine is CNCCOCCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine?
The InChIKey is XOTTZADIXWMSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c1-9-3-4-11-7-8-12-6-5-10-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine?
2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine has a molecular weight of 177.24 g/mol, XLogP of -0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine is sourced from PubChem (CID 12621265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).