1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C10H21NO — CID 22960535

IUPAC1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCN1CCCC1COC(C)(C)C
InChIInChI=1S/C10H21NO/c1-10(2,3)12-8-9-6-5-7-11(9)4/h9H,5-8H2,1-4H3
InChIKeyFZQUCAGKMFDVGY-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds2

About 1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 22960535) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID22960535
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCN1CCCC1COC(C)(C)C
InChIInChI=1S/C10H21NO/c1-10(2,3)12-8-9-6-5-7-11(9)4/h9H,5-8H2,1-4H3
InChIKeyFZQUCAGKMFDVGY-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of 1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 22960535) is 1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for 1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CN1CCCC1COC(C)(C)C.
What is the InChIKey of 1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is FZQUCAGKMFDVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)12-8-9-6-5-7-11(9)4/h9H,5-8H2,1-4H3.
What are the key properties of 1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 22960535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).