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

C8H20N2O2 — CID 19755942

IUPAC2-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol
SMILESCN(CCO)CCCNCCO
InChIInChI=1S/C8H20N2O2/c1-10(6-8-12)5-2-3-9-4-7-11/h9,11-12H,2-8H2,1H3
InChIKeyNZFZMAWSYSLOAB-UHFFFAOYSA-N
MW176.26 g/mol
LogP-1.12
Rot. Bonds8

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

2-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol (PubChem CID 19755942) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol
PubChem CID19755942
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name2-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol
SMILESCN(CCO)CCCNCCO
InChIInChI=1S/C8H20N2O2/c1-10(6-8-12)5-2-3-9-4-7-11/h9,11-12H,2-8H2,1H3
InChIKeyNZFZMAWSYSLOAB-UHFFFAOYSA-N
XLogP-1.12
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol?
The IUPAC name of 2-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol (CID 19755942) is 2-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol.
What is the SMILES notation for 2-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol?
The canonical SMILES for 2-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol is CN(CCO)CCCNCCO.
What is the InChIKey of 2-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol?
The InChIKey is NZFZMAWSYSLOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-10(6-8-12)5-2-3-9-4-7-11/h9,11-12H,2-8H2,1H3.
What are the key properties of 2-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol?
2-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol has a molecular weight of 176.26 g/mol, XLogP of -1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-hydroxyethyl(methyl)amino]propylamino]ethanol is sourced from PubChem (CID 19755942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).