(2S,5S)-2,5-dimethylmorpholine

C6H13NO — CID 641781

IUPAC(2S,5S)-2,5-dimethylmorpholine
SMILESC[C@H]1CO[C@@H](C)CN1
InChIInChI=1S/C6H13NO/c1-5-4-8-6(2)3-7-5/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyRPSYMAMREDJAES-WDSKDSINSA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds

About (2S,5S)-2,5-dimethylmorpholine

(2S,5S)-2,5-dimethylmorpholine (PubChem CID 641781) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethylmorpholine.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethylmorpholine
PubChem CID641781
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2S,5S)-2,5-dimethylmorpholine
SMILESC[C@H]1CO[C@@H](C)CN1
InChIInChI=1S/C6H13NO/c1-5-4-8-6(2)3-7-5/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyRPSYMAMREDJAES-WDSKDSINSA-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 (2S,5S)-2,5-dimethylmorpholine?
The IUPAC name of (2S,5S)-2,5-dimethylmorpholine (CID 641781) is (2S,5S)-2,5-dimethylmorpholine.
What is the SMILES notation for (2S,5S)-2,5-dimethylmorpholine?
The canonical SMILES for (2S,5S)-2,5-dimethylmorpholine is C[C@H]1CO[C@@H](C)CN1.
What is the InChIKey of (2S,5S)-2,5-dimethylmorpholine?
The InChIKey is RPSYMAMREDJAES-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-4-8-6(2)3-7-5/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,5S)-2,5-dimethylmorpholine?
(2S,5S)-2,5-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 (2S,5S)-2,5-dimethylmorpholine is sourced from PubChem (CID 641781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).