2-(dimethylamino)ethanol;propane-1,2,3-triol

C7H19NO4 — CID 87640788

IUPAC2-(dimethylamino)ethanol;propane-1,2,3-triol
SMILESCN(C)CCO.OCC(O)CO
InChIInChI=1S/C4H11NO.C3H8O3/c1-5(2)3-4-6;4-1-3(6)2-5/h6H,3-4H2,1-2H3;3-6H,1-2H2
InChIKeyDBGPFPPXWJYPHB-UHFFFAOYSA-N
MW181.23 g/mol
LogP-2.13
Rot. Bonds4

About 2-(dimethylamino)ethanol;propane-1,2,3-triol

2-(dimethylamino)ethanol;propane-1,2,3-triol (PubChem CID 87640788) has the molecular formula C7H19NO4 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;propane-1,2,3-triol.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;propane-1,2,3-triol
PubChem CID87640788
Molecular FormulaC7H19NO4
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name2-(dimethylamino)ethanol;propane-1,2,3-triol
SMILESCN(C)CCO.OCC(O)CO
InChIInChI=1S/C4H11NO.C3H8O3/c1-5(2)3-4-6;4-1-3(6)2-5/h6H,3-4H2,1-2H3;3-6H,1-2H2
InChIKeyDBGPFPPXWJYPHB-UHFFFAOYSA-N
XLogP-2.13
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

CID 161066727
CID 161066727
copper;bis(2-(dimethylamino)ethanol)
CID 58904293
2-(dimethylamino)ethanol;ethanol;zirconium
CID 154069577
tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol)
CID 6397972
2-(dimethylamino)ethanol;heptane-1,3-diol
CID 174958117
2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride
CID 174356724
3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol
CID 22058011
2-(dimethylamino)ethanol;sulfuric acid
CID 11557415
methanethiol;propane-1,2,3-triol
CID 19920877
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
CID 160843248
CID 160843248
gold;propane-1,2,3-triol
CID 87239797

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;propane-1,2,3-triol?
The IUPAC name of 2-(dimethylamino)ethanol;propane-1,2,3-triol (CID 87640788) is 2-(dimethylamino)ethanol;propane-1,2,3-triol.
What is the SMILES notation for 2-(dimethylamino)ethanol;propane-1,2,3-triol?
The canonical SMILES for 2-(dimethylamino)ethanol;propane-1,2,3-triol is CN(C)CCO.OCC(O)CO.
What is the InChIKey of 2-(dimethylamino)ethanol;propane-1,2,3-triol?
The InChIKey is DBGPFPPXWJYPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C3H8O3/c1-5(2)3-4-6;4-1-3(6)2-5/h6H,3-4H2,1-2H3;3-6H,1-2H2.
What are the key properties of 2-(dimethylamino)ethanol;propane-1,2,3-triol?
2-(dimethylamino)ethanol;propane-1,2,3-triol has a molecular weight of 181.23 g/mol, XLogP of -2.13, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;propane-1,2,3-triol is sourced from PubChem (CID 87640788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).