3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine

C28H56N4O2 — CID 23086802

About 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine

3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine (PubChem CID 23086802) has the molecular formula C28H56N4O2 and a molecular weight of 480.78 g/mol. Its IUPAC name is 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine.

Molecular Properties

• Compound Name: 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine
• PubChem CID: 23086802
• Molecular Formula: C28H56N4O2
• Molecular Weight: 480.78 g/mol
• Exact Mass: 480.44
• IUPAC Name: 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine
• SMILES: CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O.NCCCN
• InChI: InChI=1S/C25H46N2O2.C3H10N2/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21;4-2-1-3-5/h20-21,26H,6-19H2,1-5H3;1-5H2
• InChIKey: ZUTBQCKCVRGCRQ-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 101.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.78
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine?

The IUPAC name of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine (CID 23086802) is 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine.

What is the SMILES notation for 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine?

The canonical SMILES for 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine is CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O.NCCCN.

What is the InChIKey of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine?

The InChIKey is ZUTBQCKCVRGCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O2.C3H10N2/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21;4-2-1-3-5/h20-21,26H,6-19H2,1-5H3;1-5H2.

What are the key properties of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine?

3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine has a molecular weight of 480.78 g/mol, XLogP of 5.28, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine is sourced from PubChem (CID 23086802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).