2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol

C19H48N2O11 — CID 174803950

About 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol

2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol (PubChem CID 174803950) has the molecular formula C19H48N2O11 and a molecular weight of 480.60 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol.

Molecular Properties

• Compound Name: 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol
• PubChem CID: 174803950
• Molecular Formula: C19H48N2O11
• Molecular Weight: 480.60 g/mol
• Exact Mass: 480.33
• IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol
• SMILES: CCC(CO)(CO)CO.OCC(O)CO.OCCN(CCO)CCO.OCCNCCO
• InChI: InChI=1S/C6H15NO3.C6H14O3.C4H11NO2.C3H8O3/c8-4-1-7(2-5-9)3-6-10;1-2-6(3-7,4-8)5-9;6-3-1-5-2-4-7;4-1-3(6)2-5/h8-10H,1-6H2;7-9H,2-5H2,1H3;5-7H,1-4H2;3-6H,1-2H2
• InChIKey: CNGLRVOGPUJNOI-UHFFFAOYSA-N
• XLogP: -5.48
• TPSA: 237.80 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	480.60
LogP ≤ 5	-5.48
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol?

The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol (CID 174803950) is 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol.

What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol?

The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol is CCC(CO)(CO)CO.OCC(O)CO.OCCN(CCO)CCO.OCCNCCO.

What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol?

The InChIKey is CNGLRVOGPUJNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C6H14O3.C4H11NO2.C3H8O3/c8-4-1-7(2-5-9)3-6-10;1-2-6(3-7,4-8)5-9;6-3-1-5-2-4-7;4-1-3(6)2-5/h8-10H,1-6H2;7-9H,2-5H2,1H3;5-7H,1-4H2;3-6H,1-2H2.

What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol?

2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol has a molecular weight of 480.60 g/mol, XLogP of -5.48, 16 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol is sourced from PubChem (CID 174803950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).