2-[(2-hydroxyethylamino)methylamino]ethanol

C5H14N2O2 — CID 13307728

IUPAC2-[(2-hydroxyethylamino)methylamino]ethanol
SMILESOCCNCNCCO
InChIInChI=1S/C5H14N2O2/c8-3-1-6-5-7-2-4-9/h6-9H,1-5H2
InChIKeyXZJUASXMYAARPY-UHFFFAOYSA-N
MW134.18 g/mol
LogP-1.89
Rot. Bonds6

About 2-[(2-hydroxyethylamino)methylamino]ethanol

2-[(2-hydroxyethylamino)methylamino]ethanol (PubChem CID 13307728) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-[(2-hydroxyethylamino)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-hydroxyethylamino)methylamino]ethanol
PubChem CID13307728
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Name2-[(2-hydroxyethylamino)methylamino]ethanol
SMILESOCCNCNCCO
InChIInChI=1S/C5H14N2O2/c8-3-1-6-5-7-2-4-9/h6-9H,1-5H2
InChIKeyXZJUASXMYAARPY-UHFFFAOYSA-N
XLogP-1.89
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyethylamino)methylamino]ethanol?
The IUPAC name of 2-[(2-hydroxyethylamino)methylamino]ethanol (CID 13307728) is 2-[(2-hydroxyethylamino)methylamino]ethanol.
What is the SMILES notation for 2-[(2-hydroxyethylamino)methylamino]ethanol?
The canonical SMILES for 2-[(2-hydroxyethylamino)methylamino]ethanol is OCCNCNCCO.
What is the InChIKey of 2-[(2-hydroxyethylamino)methylamino]ethanol?
The InChIKey is XZJUASXMYAARPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2/c8-3-1-6-5-7-2-4-9/h6-9H,1-5H2.
What are the key properties of 2-[(2-hydroxyethylamino)methylamino]ethanol?
2-[(2-hydroxyethylamino)methylamino]ethanol has a molecular weight of 134.18 g/mol, XLogP of -1.89, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyethylamino)methylamino]ethanol is sourced from PubChem (CID 13307728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).