3-tert-butyl-4-ethylpyrrolidine

C10H21N — CID 138502812

IUPAC3-tert-butyl-4-ethylpyrrolidine
SMILESCCC1CNCC1C(C)(C)C
InChIInChI=1S/C10H21N/c1-5-8-6-11-7-9(8)10(2,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyUARBUOCTWMUWNC-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.28
Rot. Bonds1

About 3-tert-butyl-4-ethylpyrrolidine

3-tert-butyl-4-ethylpyrrolidine (PubChem CID 138502812) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 3-tert-butyl-4-ethylpyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-4-ethylpyrrolidine
PubChem CID138502812
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name3-tert-butyl-4-ethylpyrrolidine
SMILESCCC1CNCC1C(C)(C)C
InChIInChI=1S/C10H21N/c1-5-8-6-11-7-9(8)10(2,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyUARBUOCTWMUWNC-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-4-ethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-ethylpyrrolidine?
The IUPAC name of 3-tert-butyl-4-ethylpyrrolidine (CID 138502812) is 3-tert-butyl-4-ethylpyrrolidine.
What is the SMILES notation for 3-tert-butyl-4-ethylpyrrolidine?
The canonical SMILES for 3-tert-butyl-4-ethylpyrrolidine is CCC1CNCC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-ethylpyrrolidine?
The InChIKey is UARBUOCTWMUWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-8-6-11-7-9(8)10(2,3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-4-ethylpyrrolidine?
3-tert-butyl-4-ethylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-ethylpyrrolidine is sourced from PubChem (CID 138502812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).