4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine

C10H19NO3 — CID 166659317

IUPAC4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine
SMILESCC1OCC(CN2CCOCC2)CO1
InChIInChI=1S/C10H19NO3/c1-9-13-7-10(8-14-9)6-11-2-4-12-5-3-11/h9-10H,2-8H2,1H3
InChIKeyITWYSNVJXGVKEF-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.33
Rot. Bonds2

About 4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine

4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine (PubChem CID 166659317) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine
PubChem CID166659317
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine
SMILESCC1OCC(CN2CCOCC2)CO1
InChIInChI=1S/C10H19NO3/c1-9-13-7-10(8-14-9)6-11-2-4-12-5-3-11/h9-10H,2-8H2,1H3
InChIKeyITWYSNVJXGVKEF-UHFFFAOYSA-N
XLogP0.33
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine?
The IUPAC name of 4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine (CID 166659317) is 4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine is CC1OCC(CN2CCOCC2)CO1.
What is the InChIKey of 4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine?
The InChIKey is ITWYSNVJXGVKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9-13-7-10(8-14-9)6-11-2-4-12-5-3-11/h9-10H,2-8H2,1H3.
What are the key properties of 4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine?
4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine has a molecular weight of 201.27 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-dioxan-5-yl)methyl]morpholine is sourced from PubChem (CID 166659317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).