3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione

C13H24N2O2 — CID 43636728

IUPAC3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC(C)CC(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-6-15-12(16)8-11(13(15)17)14-10(4)7-9(2)3/h9-11,14H,5-8H2,1-4H3
InChIKeyYEDRGBKWFZIPNW-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds6

About 3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione

3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione (PubChem CID 43636728) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione
PubChem CID43636728
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC(C)CC(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-6-15-12(16)8-11(13(15)17)14-10(4)7-9(2)3/h9-11,14H,5-8H2,1-4H3
InChIKeyYEDRGBKWFZIPNW-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione
CID 63011257
3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 54959119
3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 43636786
3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 60933603
3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 61473514
3-[(2-methylcyclopropyl)amino]-1-propylpyrrolidine-2,5-dione
CID 62397716
3-(cyclooctylamino)-1-propylpyrrolidine-2,5-dione
CID 43636456
3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636704
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetamide
CID 43636128
3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione
CID 54917477
methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate
CID 43636164
3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 103390234

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione (CID 43636728) is 3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NC(C)CC(C)C)C1=O.
What is the InChIKey of 3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione?
The InChIKey is YEDRGBKWFZIPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-6-15-12(16)8-11(13(15)17)14-10(4)7-9(2)3/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione?
3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 43636728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).