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

C15H28N2O3 — CID 81203030

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone
SMILESCNC1(CC(=O)N2CC(CO)OCC2C)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-12-11-20-13(10-18)9-17(12)14(19)8-15(16-2)6-4-3-5-7-15/h12-13,16,18H,3-11H2,1-2H3
InChIKeyXYWCXGWKBVVSCQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.91
Rot. Bonds4

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

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone (PubChem CID 81203030) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone
PubChem CID81203030
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone
SMILESCNC1(CC(=O)N2CC(CO)OCC2C)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-12-11-20-13(10-18)9-17(12)14(19)8-15(16-2)6-4-3-5-7-15/h12-13,16,18H,3-11H2,1-2H3
InChIKeyXYWCXGWKBVVSCQ-UHFFFAOYSA-N
XLogP0.91
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 104678480
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile
CID 81203042
1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 65242004
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cycloheptane-1-carbothioamide
CID 81194882
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81196724
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone
CID 81202861
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81203290
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81208152

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone (CID 81203030) is 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone is CNC1(CC(=O)N2CC(CO)OCC2C)CCCCC1.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone?
The InChIKey is XYWCXGWKBVVSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12-11-20-13(10-18)9-17(12)14(19)8-15(16-2)6-4-3-5-7-15/h12-13,16,18H,3-11H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone?
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone has a molecular weight of 284.40 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone is sourced from PubChem (CID 81203030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).