1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone

C16H30N2O2 — CID 65242004

IUPAC1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone
SMILESCCC1COC(C)CN1C(=O)CC1(NC)CCCCC1
InChIInChI=1S/C16H30N2O2/c1-4-14-12-20-13(2)11-18(14)15(19)10-16(17-3)8-6-5-7-9-16/h13-14,17H,4-12H2,1-3H3
InChIKeyRASUMIKDKUEIPS-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.32
Rot. Bonds4

About 1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone

1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone (PubChem CID 65242004) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone
PubChem CID65242004
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone
SMILESCCC1COC(C)CN1C(=O)CC1(NC)CCCCC1
InChIInChI=1S/C16H30N2O2/c1-4-14-12-20-13(2)11-18(14)15(19)10-16(17-3)8-6-5-7-9-16/h13-14,17H,4-12H2,1-3H3
InChIKeyRASUMIKDKUEIPS-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The IUPAC name of 1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone (CID 65242004) is 1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone.
What is the SMILES notation for 1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The canonical SMILES for 1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone is CCC1COC(C)CN1C(=O)CC1(NC)CCCCC1.
What is the InChIKey of 1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The InChIKey is RASUMIKDKUEIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-14-12-20-13(2)11-18(14)15(19)10-16(17-3)8-6-5-7-9-16/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone has a molecular weight of 282.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone is sourced from PubChem (CID 65242004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).