2-tert-butyl-3-ethylpyrrolidine

C10H21N — CID 4279744

IUPAC2-tert-butyl-3-ethylpyrrolidine
SMILESCCC1CCNC1C(C)(C)C
InChIInChI=1S/C10H21N/c1-5-8-6-7-11-9(8)10(2,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyUJLIJFXOUSDBAJ-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.42
Rot. Bonds1

About 2-tert-butyl-3-ethylpyrrolidine

2-tert-butyl-3-ethylpyrrolidine (PubChem CID 4279744) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-tert-butyl-3-ethylpyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-3-ethylpyrrolidine
PubChem CID4279744
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-tert-butyl-3-ethylpyrrolidine
SMILESCCC1CCNC1C(C)(C)C
InChIInChI=1S/C10H21N/c1-5-8-6-7-11-9(8)10(2,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyUJLIJFXOUSDBAJ-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-ethylpyrrolidine?
The IUPAC name of 2-tert-butyl-3-ethylpyrrolidine (CID 4279744) is 2-tert-butyl-3-ethylpyrrolidine.
What is the SMILES notation for 2-tert-butyl-3-ethylpyrrolidine?
The canonical SMILES for 2-tert-butyl-3-ethylpyrrolidine is CCC1CCNC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-ethylpyrrolidine?
The InChIKey is UJLIJFXOUSDBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-8-6-7-11-9(8)10(2,3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-3-ethylpyrrolidine?
2-tert-butyl-3-ethylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-ethylpyrrolidine is sourced from PubChem (CID 4279744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).