2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol

C8H19NO3 — CID 174350180

IUPAC2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol
SMILESCCOCC(CO)(CO)N(C)C
InChIInChI=1S/C8H19NO3/c1-4-12-7-8(5-10,6-11)9(2)3/h10-11H,4-7H2,1-3H3
InChIKeyRRLSLSVDHDHWAF-UHFFFAOYSA-N
MW177.24 g/mol
LogP-0.69
Rot. Bonds6

About 2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol

2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol (PubChem CID 174350180) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol
PubChem CID174350180
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol
SMILESCCOCC(CO)(CO)N(C)C
InChIInChI=1S/C8H19NO3/c1-4-12-7-8(5-10,6-11)9(2)3/h10-11H,4-7H2,1-3H3
InChIKeyRRLSLSVDHDHWAF-UHFFFAOYSA-N
XLogP-0.69
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-2,2-dimethylpropan-1-ol
CID 12698285
1-(dimethylamino)-1,2-diethoxyethanol
CID 87239515
1,3-diethoxy-2,2-bis(ethoxymethyl)propane;tetrakis(N,N-dimethylmethanamine);tetrahydroiodide
CID 173321778
2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride
CID 173373234
2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane
CID 160847365
ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 21464807
3-ethoxy-2-(ethylamino)-2-methylpropan-1-ol
CID 64802622
5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol
CID 123543518
3-ethoxy-N,N,2,2-tetramethylpropan-1-amine
CID 90227656
tris(ethane-1,2-diol);ethoxyethane
CID 173395808
ethane;1-ethoxy-2,2-dimethylpropane
CID 155734553
2-(ethoxymethyl)-3-hydroxy-2-methyl-N-oxopropanamide
CID 89330266

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol?
The IUPAC name of 2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol (CID 174350180) is 2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol is CCOCC(CO)(CO)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol?
The InChIKey is RRLSLSVDHDHWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c1-4-12-7-8(5-10,6-11)9(2)3/h10-11H,4-7H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol?
2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol has a molecular weight of 177.24 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol is sourced from PubChem (CID 174350180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).