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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Related Compounds

3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 104710885
(2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol
CID 103935066
N-[2-(3,3-dimethylmorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 62461681
(2R)-1-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropan-1-one
CID 126987422
3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81019120
2-(3,3-dimethylmorpholin-4-yl)-N-propylpropan-1-amine
CID 62461496
4-amino-3-(3,3-dimethylmorpholin-4-yl)butanamide
CID 66426683
(3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid
CID 118118202
(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 78973108
2-(3,3-dimethylmorpholin-4-yl)-N-methylpentan-1-amine
CID 83053918
4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol
CID 82986575
3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine
CID 144567389

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).