2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol

C9H22N2O3 — CID 54173789

IUPAC2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol
SMILESOCCNCCCN(CCO)CCO
InChIInChI=1S/C9H22N2O3/c12-7-3-10-2-1-4-11(5-8-13)6-9-14/h10,12-14H,1-9H2
InChIKeyOWVRUPJFOYRVPT-UHFFFAOYSA-N
MW206.29 g/mol
LogP-1.75
Rot. Bonds10

About 2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol

2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol (PubChem CID 54173789) has the molecular formula C9H22N2O3 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol
PubChem CID54173789
Molecular FormulaC9H22N2O3
Molecular Weight206.29 g/mol
Exact Mass206.16
IUPAC Name2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol
SMILESOCCNCCCN(CCO)CCO
InChIInChI=1S/C9H22N2O3/c12-7-3-10-2-1-4-11(5-8-13)6-9-14/h10,12-14H,1-9H2
InChIKeyOWVRUPJFOYRVPT-UHFFFAOYSA-N
XLogP-1.75
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[bis(2-hydroxyethyl)amino]propylamino]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 2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol?
The IUPAC name of 2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol (CID 54173789) is 2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol.
What is the SMILES notation for 2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol?
The canonical SMILES for 2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol is OCCNCCCN(CCO)CCO.
What is the InChIKey of 2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol?
The InChIKey is OWVRUPJFOYRVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3/c12-7-3-10-2-1-4-11(5-8-13)6-9-14/h10,12-14H,1-9H2.
What are the key properties of 2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol?
2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol has a molecular weight of 206.29 g/mol, XLogP of -1.75, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[bis(2-hydroxyethyl)amino]propylamino]ethanol is sourced from PubChem (CID 54173789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).