3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

C15H26N2O2 — CID 63994505

IUPAC3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC1CCC(NC2CC(=O)N(C(C)C)C2=O)C(C)C1
InChIInChI=1S/C15H26N2O2/c1-9(2)17-14(18)8-13(15(17)19)16-12-6-5-10(3)7-11(12)4/h9-13,16H,5-8H2,1-4H3
InChIKeyDLUCUVVMQQWTKV-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.94
Rot. Bonds3

About 3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 63994505) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID63994505
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC1CCC(NC2CC(=O)N(C(C)C)C2=O)C(C)C1
InChIInChI=1S/C15H26N2O2/c1-9(2)17-14(18)8-13(15(17)19)16-12-6-5-10(3)7-11(12)4/h9-13,16H,5-8H2,1-4H3
InChIKeyDLUCUVVMQQWTKV-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-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-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 63994505) is 3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is CC1CCC(NC2CC(=O)N(C(C)C)C2=O)C(C)C1.
What is the InChIKey of 3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is DLUCUVVMQQWTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-9(2)17-14(18)8-13(15(17)19)16-12-6-5-10(3)7-11(12)4/h9-13,16H,5-8H2,1-4H3.
What are the key properties of 3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylcyclohexyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 63994505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).