4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one

C13H23NO2 — CID 62613668

IUPAC4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCOC(C)C2)C1
InChIInChI=1S/C13H23NO2/c1-10-3-4-13(15)12(7-10)9-14-5-6-16-11(2)8-14/h10-12H,3-9H2,1-2H3
InChIKeyMXGNMXVLBMSXDT-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.71
Rot. Bonds2

About 4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one

4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one (PubChem CID 62613668) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one
PubChem CID62613668
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCOC(C)C2)C1
InChIInChI=1S/C13H23NO2/c1-10-3-4-13(15)12(7-10)9-14-5-6-16-11(2)8-14/h10-12H,3-9H2,1-2H3
InChIKeyMXGNMXVLBMSXDT-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one (CID 62613668) is 4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one is CC1CCC(=O)C(CN2CCOC(C)C2)C1.
What is the InChIKey of 4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one?
The InChIKey is MXGNMXVLBMSXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-3-4-13(15)12(7-10)9-14-5-6-16-11(2)8-14/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one?
4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 62613668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).