2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine

C12H25NO2 — CID 170388190

IUPAC2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine
SMILESCCC(C)OCC1(COC)NCCC1C
InChIInChI=1S/C12H25NO2/c1-5-11(3)15-9-12(8-14-4)10(2)6-7-13-12/h10-11,13H,5-9H2,1-4H3
InChIKeyGBIGYAOFQLZLAJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds6

About 2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine

2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine (PubChem CID 170388190) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine
PubChem CID170388190
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine
SMILESCCC(C)OCC1(COC)NCCC1C
InChIInChI=1S/C12H25NO2/c1-5-11(3)15-9-12(8-14-4)10(2)6-7-13-12/h10-11,13H,5-9H2,1-4H3
InChIKeyGBIGYAOFQLZLAJ-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine?
The IUPAC name of 2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine (CID 170388190) is 2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine is CCC(C)OCC1(COC)NCCC1C.
What is the InChIKey of 2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine?
The InChIKey is GBIGYAOFQLZLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-11(3)15-9-12(8-14-4)10(2)6-7-13-12/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine?
2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethyl)-2-(methoxymethyl)-3-methylpyrrolidine is sourced from PubChem (CID 170388190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).