2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine

C12H29N3O2 — CID 87914104

IUPAC2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine
SMILESCN(C)CCOCCNCCOCCN(C)C
InChIInChI=1S/C12H29N3O2/c1-14(2)7-11-16-9-5-13-6-10-17-12-8-15(3)4/h13H,5-12H2,1-4H3
InChIKeyJOAIGMYRRWFIHL-UHFFFAOYSA-N
MW247.38 g/mol
LogP-0.27
Rot. Bonds12

About 2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine

2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine (PubChem CID 87914104) has the molecular formula C12H29N3O2 and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine
PubChem CID87914104
Molecular FormulaC12H29N3O2
Molecular Weight247.38 g/mol
Exact Mass247.23
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine
SMILESCN(C)CCOCCNCCOCCN(C)C
InChIInChI=1S/C12H29N3O2/c1-14(2)7-11-16-9-5-13-6-10-17-12-8-15(3)4/h13H,5-12H2,1-4H3
InChIKeyJOAIGMYRRWFIHL-UHFFFAOYSA-N
XLogP-0.27
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 5-0.27
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-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine (CID 87914104) is 2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine is CN(C)CCOCCNCCOCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine?
The InChIKey is JOAIGMYRRWFIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2/c1-14(2)7-11-16-9-5-13-6-10-17-12-8-15(3)4/h13H,5-12H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine?
2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of -0.27, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine is sourced from PubChem (CID 87914104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).