1,1,2-tris(2-aminoethylamino)ethanol

C8H24N6O — CID 87239484

IUPAC1,1,2-tris(2-aminoethylamino)ethanol
SMILESNCCNCC(O)(NCCN)NCCN
InChIInChI=1S/C8H24N6O/c9-1-4-12-7-8(15,13-5-2-10)14-6-3-11/h12-15H,1-7,9-11H2
InChIKeyZPAGITONVCVESQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP-3.72
Rot. Bonds10

About 1,1,2-tris(2-aminoethylamino)ethanol

1,1,2-tris(2-aminoethylamino)ethanol (PubChem CID 87239484) has the molecular formula C8H24N6O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1,1,2-tris(2-aminoethylamino)ethanol.

Molecular Properties

Compound Name1,1,2-tris(2-aminoethylamino)ethanol
PubChem CID87239484
Molecular FormulaC8H24N6O
Molecular Weight220.32 g/mol
Exact Mass220.20
IUPAC Name1,1,2-tris(2-aminoethylamino)ethanol
SMILESNCCNCC(O)(NCCN)NCCN
InChIInChI=1S/C8H24N6O/c9-1-4-12-7-8(15,13-5-2-10)14-6-3-11/h12-15H,1-7,9-11H2
InChIKeyZPAGITONVCVESQ-UHFFFAOYSA-N
XLogP-3.72
TPSA134.38 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.32
LogP ≤ 5-3.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1,2-tris(2-aminoethylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(2-aminoethylamino)ethanol?
The IUPAC name of 1,1,2-tris(2-aminoethylamino)ethanol (CID 87239484) is 1,1,2-tris(2-aminoethylamino)ethanol.
What is the SMILES notation for 1,1,2-tris(2-aminoethylamino)ethanol?
The canonical SMILES for 1,1,2-tris(2-aminoethylamino)ethanol is NCCNCC(O)(NCCN)NCCN.
What is the InChIKey of 1,1,2-tris(2-aminoethylamino)ethanol?
The InChIKey is ZPAGITONVCVESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H24N6O/c9-1-4-12-7-8(15,13-5-2-10)14-6-3-11/h12-15H,1-7,9-11H2.
What are the key properties of 1,1,2-tris(2-aminoethylamino)ethanol?
1,1,2-tris(2-aminoethylamino)ethanol has a molecular weight of 220.32 g/mol, XLogP of -3.72, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(2-aminoethylamino)ethanol is sourced from PubChem (CID 87239484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).