2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol

C7H20N2O3 — CID 19424835

IUPAC2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol
SMILESCC(O)CN.NCCOCCO
InChIInChI=1S/C4H11NO2.C3H9NO/c5-1-3-7-4-2-6;1-3(5)2-4/h6H,1-5H2;3,5H,2,4H2,1H3
InChIKeyKFURZWUHXRCOBP-UHFFFAOYSA-N
MW180.25 g/mol
LogP-1.72
Rot. Bonds5

About 2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol

2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol (PubChem CID 19424835) has the molecular formula C7H20N2O3 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol
PubChem CID19424835
Molecular FormulaC7H20N2O3
Molecular Weight180.25 g/mol
Exact Mass180.15
IUPAC Name2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol
SMILESCC(O)CN.NCCOCCO
InChIInChI=1S/C4H11NO2.C3H9NO/c5-1-3-7-4-2-6;1-3(5)2-4/h6H,1-5H2;3,5H,2,4H2,1H3
InChIKeyKFURZWUHXRCOBP-UHFFFAOYSA-N
XLogP-1.72
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-1.72
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-aminoethoxy)ethanol;1-aminopropan-2-ol?
The IUPAC name of 2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol (CID 19424835) is 2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol.
What is the SMILES notation for 2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol?
The canonical SMILES for 2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol is CC(O)CN.NCCOCCO.
What is the InChIKey of 2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol?
The InChIKey is KFURZWUHXRCOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C3H9NO/c5-1-3-7-4-2-6;1-3(5)2-4/h6H,1-5H2;3,5H,2,4H2,1H3.
What are the key properties of 2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol?
2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol has a molecular weight of 180.25 g/mol, XLogP of -1.72, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethanol;1-aminopropan-2-ol is sourced from PubChem (CID 19424835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).