2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol

C8H21N3O2 — CID 19893087

IUPAC2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol
SMILESNCCNCCN(CCO)CCO
InChIInChI=1S/C8H21N3O2/c9-1-2-10-3-4-11(5-7-12)6-8-13/h10,12-13H,1-9H2
InChIKeyMYQSUSHLWUPYLB-UHFFFAOYSA-N
MW191.27 g/mol
LogP-2.18
Rot. Bonds9

About 2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol

2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 19893087) has the molecular formula C8H21N3O2 and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol
PubChem CID19893087
Molecular FormulaC8H21N3O2
Molecular Weight191.27 g/mol
Exact Mass191.16
IUPAC Name2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol
SMILESNCCNCCN(CCO)CCO
InChIInChI=1S/C8H21N3O2/c9-1-2-10-3-4-11(5-7-12)6-8-13/h10,12-13H,1-9H2
InChIKeyMYQSUSHLWUPYLB-UHFFFAOYSA-N
XLogP-2.18
TPSA81.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
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-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol (CID 19893087) is 2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol is NCCNCCN(CCO)CCO.
What is the InChIKey of 2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is MYQSUSHLWUPYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2/c9-1-2-10-3-4-11(5-7-12)6-8-13/h10,12-13H,1-9H2.
What are the key properties of 2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol?
2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 191.27 g/mol, XLogP of -2.18, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethylamino)ethyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 19893087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).