1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione

C21H40N2O2 — CID 90129512

IUPAC1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione
SMILESCCN(CC)CCCCCN1C(=O)CC(CC(C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C21H40N2O2/c1-8-22(9-2)13-11-10-12-14-23-18(24)15-17(19(23)25)16-21(6,7)20(3,4)5/h17H,8-16H2,1-7H3
InChIKeySDPIXSBUVNMNPQ-UHFFFAOYSA-N
MW352.56 g/mol
LogP4.34
Rot. Bonds10

About 1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione

1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione (PubChem CID 90129512) has the molecular formula C21H40N2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione
PubChem CID90129512
Molecular FormulaC21H40N2O2
Molecular Weight352.56 g/mol
Exact Mass352.31
IUPAC Name1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione
SMILESCCN(CC)CCCCCN1C(=O)CC(CC(C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C21H40N2O2/c1-8-22(9-2)13-11-10-12-14-23-18(24)15-17(19(23)25)16-21(6,7)20(3,4)5/h17H,8-16H2,1-7H3
InChIKeySDPIXSBUVNMNPQ-UHFFFAOYSA-N
XLogP4.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione (CID 90129512) is 1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione is CCN(CC)CCCCCN1C(=O)CC(CC(C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione?
The InChIKey is SDPIXSBUVNMNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O2/c1-8-22(9-2)13-11-10-12-14-23-18(24)15-17(19(23)25)16-21(6,7)20(3,4)5/h17H,8-16H2,1-7H3.
What are the key properties of 1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione?
1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione has a molecular weight of 352.56 g/mol, XLogP of 4.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 90129512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).