(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine

C11H23NO — CID 176610737

IUPAC(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine
SMILESCC(C)(C)OC(C)(C)[C@@H]1CCCN1
InChIInChI=1S/C11H23NO/c1-10(2,3)13-11(4,5)9-7-6-8-12-9/h9,12H,6-8H2,1-5H3/t9-/m0/s1
InChIKeySJSGWQSJCGHIJX-VIFPVBQESA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds2

About (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine

(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine (PubChem CID 176610737) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine
PubChem CID176610737
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine
SMILESCC(C)(C)OC(C)(C)[C@@H]1CCCN1
InChIInChI=1S/C11H23NO/c1-10(2,3)13-11(4,5)9-7-6-8-12-9/h9,12H,6-8H2,1-5H3/t9-/m0/s1
InChIKeySJSGWQSJCGHIJX-VIFPVBQESA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 86679122
CID 86679122
2-tert-butylpyrrolidine;methane
CID 174978961
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CID 147642184
2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
2-tert-butylpyrrolidine;2-methylpropane
CID 143359861
2-piperidin-2-ylpropan-2-yl formate
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1-chloro-1-pyrrolidin-2-ylethanol
CID 126542181
(2R)-3-methyl-2-[(2S)-pyrrolidin-2-yl]butan-2-ol
CID 138485633
2-piperidin-2-ylpropan-2-amine
CID 55284786
4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol
CID 130920740
2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol
CID 137368500
1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one
CID 105432005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine?
The IUPAC name of (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine (CID 176610737) is (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine.
What is the SMILES notation for (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine?
The canonical SMILES for (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine is CC(C)(C)OC(C)(C)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine?
The InChIKey is SJSGWQSJCGHIJX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)13-11(4,5)9-7-6-8-12-9/h9,12H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine?
(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine is sourced from PubChem (CID 176610737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).