(3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine

C11H23N — CID 11052065

IUPAC(3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine
SMILESCCCC[C@@H]1C[C@H](C)NC1(C)C
InChIInChI=1S/C11H23N/c1-5-6-7-10-8-9(2)12-11(10,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyPPQPIWLCFLHJSR-VHSXEESVSA-N
MW169.31 g/mol
LogP2.95
Rot. Bonds3

About (3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine

(3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine (PubChem CID 11052065) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine.

Molecular Properties

Compound Name(3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine
PubChem CID11052065
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine
SMILESCCCC[C@@H]1C[C@H](C)NC1(C)C
InChIInChI=1S/C11H23N/c1-5-6-7-10-8-9(2)12-11(10,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyPPQPIWLCFLHJSR-VHSXEESVSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine?
The IUPAC name of (3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine (CID 11052065) is (3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine.
What is the SMILES notation for (3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine?
The canonical SMILES for (3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine is CCCC[C@@H]1C[C@H](C)NC1(C)C.
What is the InChIKey of (3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine?
The InChIKey is PPQPIWLCFLHJSR-VHSXEESVSA-N. The full InChI is InChI=1S/C11H23N/c1-5-6-7-10-8-9(2)12-11(10,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of (3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine?
(3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine is sourced from PubChem (CID 11052065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).