2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine

C13H27N — CID 89132122

IUPAC2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine
SMILESCCC1CC(C(C)(C)C)N(C(C)C)C1
InChIInChI=1S/C13H27N/c1-7-11-8-12(13(4,5)6)14(9-11)10(2)3/h10-12H,7-9H2,1-6H3
InChIKeyQRTQURJRPHMRBL-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds2

About 2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine

2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine (PubChem CID 89132122) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine
PubChem CID89132122
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine
SMILESCCC1CC(C(C)(C)C)N(C(C)C)C1
InChIInChI=1S/C13H27N/c1-7-11-8-12(13(4,5)6)14(9-11)10(2)3/h10-12H,7-9H2,1-6H3
InChIKeyQRTQURJRPHMRBL-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine 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 2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine (CID 89132122) is 2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine is CCC1CC(C(C)(C)C)N(C(C)C)C1.
What is the InChIKey of 2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine?
The InChIKey is QRTQURJRPHMRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-11-8-12(13(4,5)6)14(9-11)10(2)3/h10-12H,7-9H2,1-6H3.
What are the key properties of 2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine?
2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 89132122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).