(2S)-1-tert-butyl-2-propylpyrrolidine

C11H23N — CID 126658078

IUPAC(2S)-1-tert-butyl-2-propylpyrrolidine
SMILESCCC[C@H]1CCCN1C(C)(C)C
InChIInChI=1S/C11H23N/c1-5-7-10-8-6-9-12(10)11(2,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyXLGJOPXEDITRHG-JTQLQIEISA-N
MW169.31 g/mol
LogP3.05
Rot. Bonds2

About (2S)-1-tert-butyl-2-propylpyrrolidine

(2S)-1-tert-butyl-2-propylpyrrolidine (PubChem CID 126658078) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (2S)-1-tert-butyl-2-propylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-tert-butyl-2-propylpyrrolidine
PubChem CID126658078
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(2S)-1-tert-butyl-2-propylpyrrolidine
SMILESCCC[C@H]1CCCN1C(C)(C)C
InChIInChI=1S/C11H23N/c1-5-7-10-8-6-9-12(10)11(2,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyXLGJOPXEDITRHG-JTQLQIEISA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-tert-butyl-2-propylpyrrolidine
CID 126550968
1-tert-butyl-2-propylpiperidine
CID 59028554
2-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine
CID 83053264
2-(1-tert-butylazepan-2-yl)ethanamine
CID 84668474
1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine
CID 172515405
1-tert-butyl-2-(fluoromethyl)piperidine
CID 171453847
(1-tert-butylpiperidin-2-yl)methanamine
CID 67209205
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
1-hydroxy-2-propylpyrrolidine
CID 123695785
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
(1-tert-butylazepan-2-yl)methanol
CID 84660252
2,4-dimethyl-2-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83052847

Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butyl-2-propylpyrrolidine?
The IUPAC name of (2S)-1-tert-butyl-2-propylpyrrolidine (CID 126658078) is (2S)-1-tert-butyl-2-propylpyrrolidine.
What is the SMILES notation for (2S)-1-tert-butyl-2-propylpyrrolidine?
The canonical SMILES for (2S)-1-tert-butyl-2-propylpyrrolidine is CCC[C@H]1CCCN1C(C)(C)C.
What is the InChIKey of (2S)-1-tert-butyl-2-propylpyrrolidine?
The InChIKey is XLGJOPXEDITRHG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N/c1-5-7-10-8-6-9-12(10)11(2,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-1-tert-butyl-2-propylpyrrolidine?
(2S)-1-tert-butyl-2-propylpyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tert-butyl-2-propylpyrrolidine is sourced from PubChem (CID 126658078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).