3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde

C13H23NO3 — CID 104960586

IUPAC3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde
SMILESC[C@@H]1CN(CC2(C=O)CCCOC2)C[C@H](C)O1
InChIInChI=1S/C13H23NO3/c1-11-6-14(7-12(2)17-11)8-13(9-15)4-3-5-16-10-13/h9,11-12H,3-8,10H2,1-2H3/t11-,12+,13?
InChIKeyKBCCXKJDMZGDCZ-FUNVUKJBSA-N
MW241.33 g/mol
LogP1.09
Rot. Bonds3

About 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde

3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde (PubChem CID 104960586) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde
PubChem CID104960586
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde
SMILESC[C@@H]1CN(CC2(C=O)CCCOC2)C[C@H](C)O1
InChIInChI=1S/C13H23NO3/c1-11-6-14(7-12(2)17-11)8-13(9-15)4-3-5-16-10-13/h9,11-12H,3-8,10H2,1-2H3/t11-,12+,13?
InChIKeyKBCCXKJDMZGDCZ-FUNVUKJBSA-N
XLogP1.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde
CID 62278460
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde
CID 102936290
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde
CID 115561832
[1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclobutyl]methanethiol
CID 104961708
3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxane-3-carbaldehyde
CID 81200332
N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine
CID 104960751
1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 63740106
1-[(2-methylmorpholin-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 62276743
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxane-4-carbaldehyde
CID 79183741
3-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]oxane-3-carbaldehyde
CID 102789425
3-propyloxane-3-carbaldehyde
CID 19814202
3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde
CID 114247767

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde?
The IUPAC name of 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde (CID 104960586) is 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde.
What is the SMILES notation for 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde?
The canonical SMILES for 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde is C[C@@H]1CN(CC2(C=O)CCCOC2)C[C@H](C)O1.
What is the InChIKey of 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde?
The InChIKey is KBCCXKJDMZGDCZ-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H23NO3/c1-11-6-14(7-12(2)17-11)8-13(9-15)4-3-5-16-10-13/h9,11-12H,3-8,10H2,1-2H3/t11-,12+,13?.
What are the key properties of 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde?
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde has a molecular weight of 241.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde is sourced from PubChem (CID 104960586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).