4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol

C12H25NO2 — CID 66452172

IUPAC4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol
SMILESCC1CN(CC(C)(C)C(C)O)CC(C)O1
InChIInChI=1S/C12H25NO2/c1-9-6-13(7-10(2)15-9)8-12(4,5)11(3)14/h9-11,14H,6-8H2,1-5H3
InChIKeyXFLBZPGJKMDQNV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.50
Rot. Bonds3

About 4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol

4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol (PubChem CID 66452172) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol
PubChem CID66452172
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol
SMILESCC1CN(CC(C)(C)C(C)O)CC(C)O1
InChIInChI=1S/C12H25NO2/c1-9-6-13(7-10(2)15-9)8-12(4,5)11(3)14/h9-11,14H,6-8H2,1-5H3
InChIKeyXFLBZPGJKMDQNV-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine
CID 104960616
4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol
CID 66454350
1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol
CID 131026005
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid
CID 22683272
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 94382986
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol
CID 103936738
3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride
CID 82041291
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 104960598
1-(2,6-dimethylmorpholin-4-yl)-N-ethyl-2-methylpropan-2-amine
CID 62835400
3-(2,6-dimethylmorpholin-4-yl)-2-(ethylamino)-2-methylpropan-1-ol
CID 64795630

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol (CID 66452172) is 4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol is CC1CN(CC(C)(C)C(C)O)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is XFLBZPGJKMDQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9-6-13(7-10(2)15-9)8-12(4,5)11(3)14/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol?
4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 66452172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).