2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one

C17H31NO2 — CID 62612891

IUPAC2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CC(C)OCC2CC)C1
InChIInChI=1S/C17H31NO2/c1-4-6-14-7-8-17(19)15(9-14)11-18-10-13(3)20-12-16(18)5-2/h13-16H,4-12H2,1-3H3
InChIKeyFFJRQFKEHWHGSZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.27
Rot. Bonds5

About 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one

2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one (PubChem CID 62612891) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one
PubChem CID62612891
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CC(C)OCC2CC)C1
InChIInChI=1S/C17H31NO2/c1-4-6-14-7-8-17(19)15(9-14)11-18-10-13(3)20-12-16(18)5-2/h13-16H,4-12H2,1-3H3
InChIKeyFFJRQFKEHWHGSZ-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one (CID 62612891) is 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN2CC(C)OCC2CC)C1.
What is the InChIKey of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one?
The InChIKey is FFJRQFKEHWHGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-4-6-14-7-8-17(19)15(9-14)11-18-10-13(3)20-12-16(18)5-2/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one?
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one has a molecular weight of 281.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 62612891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).