3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione

C16H28N2O2 — CID 43653804

IUPAC3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione
SMILESCCNC1CCC(N2C(=O)CC(CC)(CC)C2=O)CC1
InChIInChI=1S/C16H28N2O2/c1-4-16(5-2)11-14(19)18(15(16)20)13-9-7-12(8-10-13)17-6-3/h12-13,17H,4-11H2,1-3H3
InChIKeyCCIIYJKSTVLGJW-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds5

About 3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione

3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione (PubChem CID 43653804) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione
PubChem CID43653804
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione
SMILESCCNC1CCC(N2C(=O)CC(CC)(CC)C2=O)CC1
InChIInChI=1S/C16H28N2O2/c1-4-16(5-2)11-14(19)18(15(16)20)13-9-7-12(8-10-13)17-6-3/h12-13,17H,4-11H2,1-3H3
InChIKeyCCIIYJKSTVLGJW-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-diethyl-1-[4-(ethylamino)cyclohexyl]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 3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione (CID 43653804) is 3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione is CCNC1CCC(N2C(=O)CC(CC)(CC)C2=O)CC1.
What is the InChIKey of 3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione?
The InChIKey is CCIIYJKSTVLGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-16(5-2)11-14(19)18(15(16)20)13-9-7-12(8-10-13)17-6-3/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione?
3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 43653804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).