(2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine

C11H22N2O — CID 17389845

IUPAC(2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine
SMILESC[C@@H]1CN(CC2CCCN2)C[C@H](C)O1
InChIInChI=1S/C11H22N2O/c1-9-6-13(7-10(2)14-9)8-11-4-3-5-12-11/h9-12H,3-8H2,1-2H3/t9-,10+,11?
InChIKeyPJIJYQDLQDIDLD-ZACCUICWSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds2

About (2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine

(2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine (PubChem CID 17389845) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine
PubChem CID17389845
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine
SMILESC[C@@H]1CN(CC2CCCN2)C[C@H](C)O1
InChIInChI=1S/C11H22N2O/c1-9-6-13(7-10(2)14-9)8-11-4-3-5-12-11/h9-12H,3-8H2,1-2H3/t9-,10+,11?
InChIKeyPJIJYQDLQDIDLD-ZACCUICWSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-2,6-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
CID 28597159
2,6-dimethyl-4-[[(2R)-pyrrolidin-2-yl]methyl]morpholine
CID 102819326
2,6-dimethyl-4-(2-pyrrolidin-2-ylethyl)morpholine
CID 61366072
2-methyl-4-(pyrrolidin-2-ylmethyl)morpholine
CID 43199476
(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 130522631
(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142354137
4-(azepan-2-ylmethyl)-2,6-dimethylthiomorpholine
CID 64568587
2-[(3,4,5-trimethylpiperazin-1-yl)methyl]azepane
CID 114547072
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone
CID 104958689
1,2-dimethyl-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 102819532
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine (CID 17389845) is (2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine is C[C@@H]1CN(CC2CCCN2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine?
The InChIKey is PJIJYQDLQDIDLD-ZACCUICWSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-6-13(7-10(2)14-9)8-11-4-3-5-12-11/h9-12H,3-8H2,1-2H3/t9-,10+,11?.
What are the key properties of (2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine?
(2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine is sourced from PubChem (CID 17389845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).