(3R,5S)-3,5-dimethylmorpholine

C6H13NO — CID 12638209

IUPAC(3R,5S)-3,5-dimethylmorpholine
SMILESC[C@@H]1COC[C@H](C)N1
InChIInChI=1S/C6H13NO/c1-5-3-8-4-6(2)7-5/h5-7H,3-4H2,1-2H3/t5-,6+
InChIKeyMDKHWJFKHDRFFZ-OLQVQODUSA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds

About (3R,5S)-3,5-dimethylmorpholine

(3R,5S)-3,5-dimethylmorpholine (PubChem CID 12638209) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethylmorpholine.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethylmorpholine
PubChem CID12638209
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(3R,5S)-3,5-dimethylmorpholine
SMILESC[C@@H]1COC[C@H](C)N1
InChIInChI=1S/C6H13NO/c1-5-3-8-4-6(2)7-5/h5-7H,3-4H2,1-2H3/t5-,6+
InChIKeyMDKHWJFKHDRFFZ-OLQVQODUSA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dimethylmorpholine?
The IUPAC name of (3R,5S)-3,5-dimethylmorpholine (CID 12638209) is (3R,5S)-3,5-dimethylmorpholine.
What is the SMILES notation for (3R,5S)-3,5-dimethylmorpholine?
The canonical SMILES for (3R,5S)-3,5-dimethylmorpholine is C[C@@H]1COC[C@H](C)N1.
What is the InChIKey of (3R,5S)-3,5-dimethylmorpholine?
The InChIKey is MDKHWJFKHDRFFZ-OLQVQODUSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-3-8-4-6(2)7-5/h5-7H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (3R,5S)-3,5-dimethylmorpholine?
(3R,5S)-3,5-dimethylmorpholine has a molecular weight of 115.18 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-dimethylmorpholine is sourced from PubChem (CID 12638209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).