3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C17H33NO2 — CID 165497496

IUPAC3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N1CCOC(C)(C)C1
InChIInChI=1S/C17H33NO2/c1-6-16(2,3)14-8-7-13(19)11-15(14)18-9-10-20-17(4,5)12-18/h13-15,19H,6-12H2,1-5H3
InChIKeyNWKYDMZWJPTUJY-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.06
Rot. Bonds3

About 3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 165497496) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID165497496
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N1CCOC(C)(C)C1
InChIInChI=1S/C17H33NO2/c1-6-16(2,3)14-8-7-13(19)11-15(14)18-9-10-20-17(4,5)12-18/h13-15,19H,6-12H2,1-5H3
InChIKeyNWKYDMZWJPTUJY-UHFFFAOYSA-N
XLogP3.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 165497496) is 3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)CC1N1CCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is NWKYDMZWJPTUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-16(2,3)14-8-7-13(19)11-15(14)18-9-10-20-17(4,5)12-18/h13-15,19H,6-12H2,1-5H3.
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 165497496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).