2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine

C12H25NO4 — CID 104749761

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(COCCOCCOC)C1CCOC1
InChIInChI=1S/C12H25NO4/c1-13-12(11-3-4-16-9-11)10-17-8-7-15-6-5-14-2/h11-13H,3-10H2,1-2H3
InChIKeyKOZGNROIDOKABJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.29
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine

2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104749761) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID104749761
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(COCCOCCOC)C1CCOC1
InChIInChI=1S/C12H25NO4/c1-13-12(11-3-4-16-9-11)10-17-8-7-15-6-5-14-2/h11-13H,3-10H2,1-2H3
InChIKeyKOZGNROIDOKABJ-UHFFFAOYSA-N
XLogP0.29
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine (CID 104749761) is 2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(COCCOCCOC)C1CCOC1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is KOZGNROIDOKABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-13-12(11-3-4-16-9-11)10-17-8-7-15-6-5-14-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine?
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 247.33 g/mol, XLogP of 0.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104749761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).