3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione

C14H24N2O2 — CID 103966054

IUPAC3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione
SMILESCC1(C)CC(NC2CC(=O)NC2=O)CC(C)(C)C1
InChIInChI=1S/C14H24N2O2/c1-13(2)6-9(7-14(3,4)8-13)15-10-5-11(17)16-12(10)18/h9-10,15H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyTUARGPYGZDRUKG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.60
Rot. Bonds2

About 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione

3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione (PubChem CID 103966054) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione
PubChem CID103966054
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione
SMILESCC1(C)CC(NC2CC(=O)NC2=O)CC(C)(C)C1
InChIInChI=1S/C14H24N2O2/c1-13(2)6-9(7-14(3,4)8-13)15-10-5-11(17)16-12(10)18/h9-10,15H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyTUARGPYGZDRUKG-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione (CID 103966054) is 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione is CC1(C)CC(NC2CC(=O)NC2=O)CC(C)(C)C1.
What is the InChIKey of 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione?
The InChIKey is TUARGPYGZDRUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2)6-9(7-14(3,4)8-13)15-10-5-11(17)16-12(10)18/h9-10,15H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione?
3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 103966054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).