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

C12H24N2O — CID 129360659

IUPAC(2R,6S)-4-[(2R,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+
InChIKeyFXKXBIAHDIFSPF-BKUVIOGVSA-N
MW212.34 g/mol
LogP1.88
Rot. Bonds1

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

(2R,6S)-4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine (PubChem CID 129360659) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2R,6S)-4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine
PubChem CID129360659
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2R,6S)-4-[(2R,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+
InChIKeyFXKXBIAHDIFSPF-BKUVIOGVSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine (CID 129360659) is (2R,6S)-4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[(2R,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 (2R,6S)-4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine?
The InChIKey is FXKXBIAHDIFSPF-BKUVIOGVSA-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+.
What are the key properties of (2R,6S)-4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine?
(2R,6S)-4-[(2R,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 (2R,6S)-4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 129360659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).