(2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine

C11H23NO — CID 171756306

IUPAC(2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine
SMILESCC(C)OC(C)(C)[C@@H]1CCCN1C
InChIInChI=1S/C11H23NO/c1-9(2)13-11(3,4)10-7-6-8-12(10)5/h9-10H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyOQVZZZQSRVEHHG-JTQLQIEISA-N
MW185.31 g/mol
LogP2.28
Rot. Bonds3

About (2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine

(2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine (PubChem CID 171756306) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine
PubChem CID171756306
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine
SMILESCC(C)OC(C)(C)[C@@H]1CCCN1C
InChIInChI=1S/C11H23NO/c1-9(2)13-11(3,4)10-7-6-8-12(10)5/h9-10H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyOQVZZZQSRVEHHG-JTQLQIEISA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine (CID 171756306) is (2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine is CC(C)OC(C)(C)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine?
The InChIKey is OQVZZZQSRVEHHG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)13-11(3,4)10-7-6-8-12(10)5/h9-10H,6-8H2,1-5H3/t10-/m0/s1.
What are the key properties of (2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine?
(2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(2-propan-2-yloxypropan-2-yl)pyrrolidine is sourced from PubChem (CID 171756306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).