1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol

C8H20N2O3 — CID 88556534

IUPAC1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol
SMILESCC(O)NCCN(CCO)C(C)O
InChIInChI=1S/C8H20N2O3/c1-7(12)9-3-4-10(5-6-11)8(2)13/h7-9,11-13H,3-6H2,1-2H3
InChIKeyPAFWPQXCHGGYQU-UHFFFAOYSA-N
MW192.26 g/mol
LogP-1.45
Rot. Bonds7

About 1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol

1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol (PubChem CID 88556534) has the molecular formula C8H20N2O3 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol.

Molecular Properties

Compound Name1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol
PubChem CID88556534
Molecular FormulaC8H20N2O3
Molecular Weight192.26 g/mol
Exact Mass192.15
IUPAC Name1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol
SMILESCC(O)NCCN(CCO)C(C)O
InChIInChI=1S/C8H20N2O3/c1-7(12)9-3-4-10(5-6-11)8(2)13/h7-9,11-13H,3-6H2,1-2H3
InChIKeyPAFWPQXCHGGYQU-UHFFFAOYSA-N
XLogP-1.45
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol?
The IUPAC name of 1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol (CID 88556534) is 1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol.
What is the SMILES notation for 1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol?
The canonical SMILES for 1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol is CC(O)NCCN(CCO)C(C)O.
What is the InChIKey of 1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol?
The InChIKey is PAFWPQXCHGGYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3/c1-7(12)9-3-4-10(5-6-11)8(2)13/h7-9,11-13H,3-6H2,1-2H3.
What are the key properties of 1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol?
1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol has a molecular weight of 192.26 g/mol, XLogP of -1.45, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol is sourced from PubChem (CID 88556534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).