(2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine

C12H24N2O — CID 98105066

IUPAC(2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(N2[C@@H](C)CC[C@@H]2C)C[C@H](C)O1
InChIInChI=1S/C12H24N2O/c1-9-5-6-10(2)14(9)13-7-11(3)15-12(4)8-13/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12-/m0/s1
InChIKeyFXKXBIAHDIFSPF-BJDJZHNGSA-N
MW212.34 g/mol
LogP1.88
Rot. Bonds1

About (2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine

(2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine (PubChem CID 98105066) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine
PubChem CID98105066
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(N2[C@@H](C)CC[C@@H]2C)C[C@H](C)O1
InChIInChI=1S/C12H24N2O/c1-9-5-6-10(2)14(9)13-7-11(3)15-12(4)8-13/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12-/m0/s1
InChIKeyFXKXBIAHDIFSPF-BJDJZHNGSA-N
XLogP1.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine
CID 129360659
2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole
CID 89356931
ethane;(2S,6R)-2,4,6-trimethylmorpholine
CID 142013694
(2S)-2,5-dimethyloxolane
CID 118613003
(2R,6R)-4-cyclohexyl-2,6-dimethylmorpholine
CID 23262067
(NZ)-N-[2-(2,6-dimethylmorpholin-4-yl)cyclopentylidene]hydroxylamine
CID 6372781
(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde
CID 45083500
(2,6-dimethylmorpholin-4-yl)methanethiol
CID 90819554
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
2,7-dimethyl-1,4-oxazepane-4-carbonitrile
CID 164644794

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine (CID 98105066) is (2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine is C[C@H]1CN(N2[C@@H](C)CC[C@@H]2C)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine?
The InChIKey is FXKXBIAHDIFSPF-BJDJZHNGSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-5-6-10(2)14(9)13-7-11(3)15-12(4)8-13/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12-/m0/s1.
What are the key properties of (2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine?
(2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine has a molecular weight of 212.34 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 98105066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).