2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide

C8H18N2O3 — CID 87130037

IUPAC2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide
SMILESC=CC(=O)NC.OCCNCCO
InChIInChI=1S/C4H11NO2.C4H7NO/c6-3-1-5-2-4-7;1-3-4(6)5-2/h5-7H,1-4H2;3H,1H2,2H3,(H,5,6)
InChIKeyJFPSPYIBDNJTGA-UHFFFAOYSA-N
MW190.24 g/mol
LogP-1.52
Rot. Bonds5

About 2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide

2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide (PubChem CID 87130037) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide
PubChem CID87130037
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide
SMILESC=CC(=O)NC.OCCNCCO
InChIInChI=1S/C4H11NO2.C4H7NO/c6-3-1-5-2-4-7;1-3-4(6)5-2/h5-7H,1-4H2;3H,1H2,2H3,(H,5,6)
InChIKeyJFPSPYIBDNJTGA-UHFFFAOYSA-N
XLogP-1.52
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide (CID 87130037) is 2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide is C=CC(=O)NC.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide?
The InChIKey is JFPSPYIBDNJTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C4H7NO/c6-3-1-5-2-4-7;1-3-4(6)5-2/h5-7H,1-4H2;3H,1H2,2H3,(H,5,6).
What are the key properties of 2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide?
2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide has a molecular weight of 190.24 g/mol, XLogP of -1.52, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide is sourced from PubChem (CID 87130037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).