1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol

C17H33NO2 — CID 79065767

IUPAC1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
SMILESCCC1CCC(C(O)C(C)(CC)N2CCOCC2)CC1
InChIInChI=1S/C17H33NO2/c1-4-14-6-8-15(9-7-14)16(19)17(3,5-2)18-10-12-20-13-11-18/h14-16,19H,4-13H2,1-3H3
InChIKeyALUAATFPHSHIPV-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.06
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol

1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol (PubChem CID 79065767) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
PubChem CID79065767
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
SMILESCCC1CCC(C(O)C(C)(CC)N2CCOCC2)CC1
InChIInChI=1S/C17H33NO2/c1-4-14-6-8-15(9-7-14)16(19)17(3,5-2)18-10-12-20-13-11-18/h14-16,19H,4-13H2,1-3H3
InChIKeyALUAATFPHSHIPV-UHFFFAOYSA-N
XLogP3.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol (CID 79065767) is 1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol is CCC1CCC(C(O)C(C)(CC)N2CCOCC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol?
The InChIKey is ALUAATFPHSHIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-14-6-8-15(9-7-14)16(19)17(3,5-2)18-10-12-20-13-11-18/h14-16,19H,4-13H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol?
1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol is sourced from PubChem (CID 79065767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).