2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol

C6H14N2O2 — CID 18615900

IUPAC2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol
SMILESOCCN/C=C/NCCO
InChIInChI=1S/C6H14N2O2/c9-5-3-7-1-2-8-4-6-10/h1-2,7-10H,3-6H2/b2-1+
InChIKeyXZHYGVVHFCBHRR-OWOJBTEDSA-N
MW146.19 g/mol
LogP-1.38
Rot. Bonds6

About 2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol

2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol (PubChem CID 18615900) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol
PubChem CID18615900
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol
SMILESOCCN/C=C/NCCO
InChIInChI=1S/C6H14N2O2/c9-5-3-7-1-2-8-4-6-10/h1-2,7-10H,3-6H2/b2-1+
InChIKeyXZHYGVVHFCBHRR-OWOJBTEDSA-N
XLogP-1.38
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
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-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol?
The IUPAC name of 2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol (CID 18615900) is 2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol.
What is the SMILES notation for 2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol?
The canonical SMILES for 2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol is OCCN/C=C/NCCO.
What is the InChIKey of 2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol?
The InChIKey is XZHYGVVHFCBHRR-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H14N2O2/c9-5-3-7-1-2-8-4-6-10/h1-2,7-10H,3-6H2/b2-1+.
What are the key properties of 2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol?
2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol has a molecular weight of 146.19 g/mol, XLogP of -1.38, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(2-hydroxyethylamino)ethenyl]amino]ethanol is sourced from PubChem (CID 18615900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).