2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine

C8H21N3O2 — CID 15792937

IUPAC2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
SMILESNCCOCCNCCOCCN
InChIInChI=1S/C8H21N3O2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h11H,1-10H2
InChIKeyMEEQYWDFCGVGCR-UHFFFAOYSA-N
MW191.27 g/mol
LogP-1.47
Rot. Bonds10

About 2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine

2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine (PubChem CID 15792937) has the molecular formula C8H21N3O2 and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
PubChem CID15792937
Molecular FormulaC8H21N3O2
Molecular Weight191.27 g/mol
Exact Mass191.16
IUPAC Name2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
SMILESNCCOCCNCCOCCN
InChIInChI=1S/C8H21N3O2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h11H,1-10H2
InChIKeyMEEQYWDFCGVGCR-UHFFFAOYSA-N
XLogP-1.47
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
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-(2-aminoethoxy)ethylamino]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine (CID 15792937) is 2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine is NCCOCCNCCOCCN.
What is the InChIKey of 2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine?
The InChIKey is MEEQYWDFCGVGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h11H,1-10H2.
What are the key properties of 2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine?
2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine has a molecular weight of 191.27 g/mol, XLogP of -1.47, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine is sourced from PubChem (CID 15792937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).