1-(3,3-dimethylmorpholin-4-yl)ethanol

C8H17NO2 — CID 141129564

IUPAC1-(3,3-dimethylmorpholin-4-yl)ethanol
SMILESCC(O)N1CCOCC1(C)C
InChIInChI=1S/C8H17NO2/c1-7(10)9-4-5-11-6-8(9,2)3/h7,10H,4-6H2,1-3H3
InChIKeyMYXUGMZCDVCDLS-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.44
Rot. Bonds1

About 1-(3,3-dimethylmorpholin-4-yl)ethanol

1-(3,3-dimethylmorpholin-4-yl)ethanol (PubChem CID 141129564) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)ethanol.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)ethanol
PubChem CID141129564
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)ethanol
SMILESCC(O)N1CCOCC1(C)C
InChIInChI=1S/C8H17NO2/c1-7(10)9-4-5-11-6-8(9,2)3/h7,10H,4-6H2,1-3H3
InChIKeyMYXUGMZCDVCDLS-UHFFFAOYSA-N
XLogP0.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)ethanol?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)ethanol (CID 141129564) is 1-(3,3-dimethylmorpholin-4-yl)ethanol.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)ethanol?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)ethanol is CC(O)N1CCOCC1(C)C.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)ethanol?
The InChIKey is MYXUGMZCDVCDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(10)9-4-5-11-6-8(9,2)3/h7,10H,4-6H2,1-3H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)ethanol?
1-(3,3-dimethylmorpholin-4-yl)ethanol has a molecular weight of 159.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)ethanol is sourced from PubChem (CID 141129564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).