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

C6H13NO — CID 641780

IUPAC(2R,5S)-2,5-dimethylmorpholine
SMILESC[C@@H]1CN[C@@H](C)CO1
InChIInChI=1S/C6H13NO/c1-5-4-8-6(2)3-7-5/h5-7H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyRPSYMAMREDJAES-NTSWFWBYSA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds

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

(2R,5S)-2,5-dimethylmorpholine (PubChem CID 641780) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2R,5S)-2,5-dimethylmorpholine.

Molecular Properties

Compound Name(2R,5S)-2,5-dimethylmorpholine
PubChem CID641780
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2R,5S)-2,5-dimethylmorpholine
SMILESC[C@@H]1CN[C@@H](C)CO1
InChIInChI=1S/C6H13NO/c1-5-4-8-6(2)3-7-5/h5-7H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyRPSYMAMREDJAES-NTSWFWBYSA-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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Related Compounds

(2S,5S)-2,5-dimethyl-1,4-oxazepane
CID 171424392
5-methylmorpholin-2-ol
CID 105427098
2-fluoro-5-methylmorpholine
CID 105427159
trimethyl-(5-methylmorpholin-2-yl)azanium
CID 68971801
5-tert-butyl-2-methylmorpholine
CID 82280213
(2S,5S)-2-ethyl-5-methylmorpholine
CID 93264101
[(2R)-5-methylmorpholin-2-yl]methanol
CID 155273553
(2S,5R)-5-methyl-2-(trifluoromethyl)morpholine
CID 124508872
2-[(3R,6S)-6-methylmorpholin-3-yl]ethanol
CID 124552327
2-[(3R,6R)-6-methylmorpholin-3-yl]ethanol
CID 124552326
1-(6-methylmorpholin-3-yl)ethanol
CID 123244330
CID 163498360
CID 163498360

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-dimethylmorpholine?
The IUPAC name of (2R,5S)-2,5-dimethylmorpholine (CID 641780) is (2R,5S)-2,5-dimethylmorpholine.
What is the SMILES notation for (2R,5S)-2,5-dimethylmorpholine?
The canonical SMILES for (2R,5S)-2,5-dimethylmorpholine is C[C@@H]1CN[C@@H](C)CO1.
What is the InChIKey of (2R,5S)-2,5-dimethylmorpholine?
The InChIKey is RPSYMAMREDJAES-NTSWFWBYSA-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 (2R,5S)-2,5-dimethylmorpholine?
(2R,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 (2R,5S)-2,5-dimethylmorpholine is sourced from PubChem (CID 641780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).