2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol

C13H27NO2 — CID 102745123

IUPAC2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol
SMILESCC(C)(O)CCN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C13H27NO2/c1-11(2,15)7-8-14-9-12(3,4)16-13(5,6)10-14/h15H,7-10H2,1-6H3
InChIKeyYERFSVKRCUULAC-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.04
Rot. Bonds3

About 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol

2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol (PubChem CID 102745123) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol
PubChem CID102745123
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol
SMILESCC(C)(O)CCN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C13H27NO2/c1-11(2,15)7-8-14-9-12(3,4)16-13(5,6)10-14/h15H,7-10H2,1-6H3
InChIKeyYERFSVKRCUULAC-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol
CID 102746437
2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide
CID 102743969
2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
CID 102743878
2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanimidamide
CID 102744138
2-amino-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-ol
CID 102746424
4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-ol
CID 102745117
2,2-dimethyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
CID 102745863
2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile
CID 106710148
3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoic acid
CID 102744515
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740
3,3-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol
CID 102745364
2-phenyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-ol
CID 102745135

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol?
The IUPAC name of 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol (CID 102745123) is 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol is CC(C)(O)CCN1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol?
The InChIKey is YERFSVKRCUULAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2,15)7-8-14-9-12(3,4)16-13(5,6)10-14/h15H,7-10H2,1-6H3.
What are the key properties of 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol?
2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol is sourced from PubChem (CID 102745123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).