(2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine

C13H26N2O — CID 104959082

IUPAC(2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine
SMILESCCC1(CN2C[C@@H](C)O[C@@H](C)C2)CCNC1
InChIInChI=1S/C13H26N2O/c1-4-13(5-6-14-9-13)10-15-7-11(2)16-12(3)8-15/h11-12,14H,4-10H2,1-3H3/t11-,12+,13?
InChIKeyXRCUGMGHPYIVKL-FUNVUKJBSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds3

About (2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine

(2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine (PubChem CID 104959082) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine
PubChem CID104959082
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine
SMILESCCC1(CN2C[C@@H](C)O[C@@H](C)C2)CCNC1
InChIInChI=1S/C13H26N2O/c1-4-13(5-6-14-9-13)10-15-7-11(2)16-12(3)8-15/h11-12,14H,4-10H2,1-3H3/t11-,12+,13?
InChIKeyXRCUGMGHPYIVKL-FUNVUKJBSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[(4-propylpiperidin-4-yl)methyl]morpholine
CID 104959142
(2R,6S)-4-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 114042172
4-[(3-ethylpyrrolidin-3-yl)methyl]-2,5-dimethylmorpholine
CID 63142734
2-ethyl-4-[(3-ethylpyrrolidin-3-yl)methyl]morpholine
CID 63142782
4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-4-ol
CID 62221665
1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine
CID 55218735
1-(cyclopropylmethyl)-4-[(3-ethylpyrrolidin-3-yl)methyl]piperazine
CID 55165550
1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine
CID 114410666
ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine
CID 176951767
2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
CID 120899235
1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine
CID 55224749
(2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine
CID 104959997

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine (CID 104959082) is (2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine is CCC1(CN2C[C@@H](C)O[C@@H](C)C2)CCNC1.
What is the InChIKey of (2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine?
The InChIKey is XRCUGMGHPYIVKL-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(5-6-14-9-13)10-15-7-11(2)16-12(3)8-15/h11-12,14H,4-10H2,1-3H3/t11-,12+,13?.
What are the key properties of (2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 104959082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).