2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine

C9H19NO3 — CID 61418435

IUPAC2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine
SMILESCOCCN(CCOC)CC1CO1
InChIInChI=1S/C9H19NO3/c1-11-5-3-10(4-6-12-2)7-9-8-13-9/h9H,3-8H2,1-2H3
InChIKeyZPAHRIUCEWCCPK-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.02
Rot. Bonds8

About 2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine

2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine (PubChem CID 61418435) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine
PubChem CID61418435
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine
SMILESCOCCN(CCOC)CC1CO1
InChIInChI=1S/C9H19NO3/c1-11-5-3-10(4-6-12-2)7-9-8-13-9/h9H,3-8H2,1-2H3
InChIKeyZPAHRIUCEWCCPK-UHFFFAOYSA-N
XLogP-0.02
TPSA34.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine (CID 61418435) is 2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine is COCCN(CCOC)CC1CO1.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine?
The InChIKey is ZPAHRIUCEWCCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-11-5-3-10(4-6-12-2)7-9-8-13-9/h9H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine?
2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine has a molecular weight of 189.25 g/mol, XLogP of -0.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)ethanamine is sourced from PubChem (CID 61418435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).