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

C11H26N2O4 — CID 171530208

IUPAC2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
SMILESCNCCOCCOCCOCCON(C)C
InChIInChI=1S/C11H26N2O4/c1-12-4-5-14-6-7-15-8-9-16-10-11-17-13(2)3/h12H,4-11H2,1-3H3
InChIKeyOQSFIXLQADBQGP-UHFFFAOYSA-N
MW250.34 g/mol
LogP-0.25
Rot. Bonds13

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

2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine (PubChem CID 171530208) has the molecular formula C11H26N2O4 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
PubChem CID171530208
Molecular FormulaC11H26N2O4
Molecular Weight250.34 g/mol
Exact Mass250.19
IUPAC Name2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
SMILESCNCCOCCOCCOCCON(C)C
InChIInChI=1S/C11H26N2O4/c1-12-4-5-14-6-7-15-8-9-16-10-11-17-13(2)3/h12H,4-11H2,1-3H3
InChIKeyOQSFIXLQADBQGP-UHFFFAOYSA-N
XLogP-0.25
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine?
The IUPAC name of 2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine (CID 171530208) is 2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine is CNCCOCCOCCOCCON(C)C.
What is the InChIKey of 2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine?
The InChIKey is OQSFIXLQADBQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O4/c1-12-4-5-14-6-7-15-8-9-16-10-11-17-13(2)3/h12H,4-11H2,1-3H3.
What are the key properties of 2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine?
2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine has a molecular weight of 250.34 g/mol, XLogP of -0.25, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine is sourced from PubChem (CID 171530208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).