(3R)-1,3-dimethylpyrrolidine;methoxyethane

C9H21NO — CID 168995802

IUPAC(3R)-1,3-dimethylpyrrolidine;methoxyethane
SMILESCCOC.C[C@@H]1CCN(C)C1
InChIInChI=1S/C6H13N.C3H8O/c1-6-3-4-7(2)5-6;1-3-4-2/h6H,3-5H2,1-2H3;3H2,1-2H3/t6-;/m1./s1
InChIKeyZCVTXQCWWKRUSY-FYZOBXCZSA-N
MW159.27 g/mol
LogP1.61
Rot. Bonds1

About (3R)-1,3-dimethylpyrrolidine;methoxyethane

(3R)-1,3-dimethylpyrrolidine;methoxyethane (PubChem CID 168995802) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (3R)-1,3-dimethylpyrrolidine;methoxyethane.

Molecular Properties

Compound Name(3R)-1,3-dimethylpyrrolidine;methoxyethane
PubChem CID168995802
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(3R)-1,3-dimethylpyrrolidine;methoxyethane
SMILESCCOC.C[C@@H]1CCN(C)C1
InChIInChI=1S/C6H13N.C3H8O/c1-6-3-4-7(2)5-6;1-3-4-2/h6H,3-5H2,1-2H3;3H2,1-2H3/t6-;/m1./s1
InChIKeyZCVTXQCWWKRUSY-FYZOBXCZSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1,3-dimethylpyrrolidine
CID 58412242
(3R)-1,3-dimethylpyrrolidine;ethane
CID 90814408
(3S)-3-fluoro-1-methylpyrrolidine;methoxyethane
CID 166533777
1,3-dimethylpyrrolidine;propan-2-ol
CID 166075610
(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
CID 159420555
(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine
CID 177009372
1,3-dimethylpyrrolidine;methoxymethane;4-methylsulfanylbutanal
CID 144955546
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
3-(methoxymethyl)-1,4-dimethylpiperidine
CID 170079512
methoxyethane;1-methylpyrrolidine
CID 90838943

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethylpyrrolidine;methoxyethane?
The IUPAC name of (3R)-1,3-dimethylpyrrolidine;methoxyethane (CID 168995802) is (3R)-1,3-dimethylpyrrolidine;methoxyethane.
What is the SMILES notation for (3R)-1,3-dimethylpyrrolidine;methoxyethane?
The canonical SMILES for (3R)-1,3-dimethylpyrrolidine;methoxyethane is CCOC.C[C@@H]1CCN(C)C1.
What is the InChIKey of (3R)-1,3-dimethylpyrrolidine;methoxyethane?
The InChIKey is ZCVTXQCWWKRUSY-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H13N.C3H8O/c1-6-3-4-7(2)5-6;1-3-4-2/h6H,3-5H2,1-2H3;3H2,1-2H3/t6-;/m1./s1.
What are the key properties of (3R)-1,3-dimethylpyrrolidine;methoxyethane?
(3R)-1,3-dimethylpyrrolidine;methoxyethane has a molecular weight of 159.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethylpyrrolidine;methoxyethane is sourced from PubChem (CID 168995802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).