3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide

C14H28N2O — CID 71109767

IUPAC3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCC(CC(C)(C)C)C1
InChIInChI=1S/C14H28N2O/c1-5-15-13(17)7-9-16-8-6-12(11-16)10-14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyJJNGMIJZIQYESS-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds5

About 3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide

3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide (PubChem CID 71109767) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide
PubChem CID71109767
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCC(CC(C)(C)C)C1
InChIInChI=1S/C14H28N2O/c1-5-15-13(17)7-9-16-8-6-12(11-16)10-14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyJJNGMIJZIQYESS-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide 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-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide?
The IUPAC name of 3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide (CID 71109767) is 3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide is CCNC(=O)CCN1CCC(CC(C)(C)C)C1.
What is the InChIKey of 3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide?
The InChIKey is JJNGMIJZIQYESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-15-13(17)7-9-16-8-6-12(11-16)10-14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17).
What are the key properties of 3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide?
3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 71109767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).