2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C42H81N9 — CID 58038481

About 2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 58038481) has the molecular formula C42H81N9 and a molecular weight of 712.17 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 58038481
• Molecular Formula: C42H81N9
• Molecular Weight: 712.17 g/mol
• Exact Mass: 711.66
• IUPAC Name: 2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
• SMILES: CCCCN(c1nc(CN(CCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C42H81N9/c1-16-19-22-50(32-26-39(8,9)47-40(10,11)27-32)35-43-34(30-49(21-18-3)31-24-37(4,5)46-38(6,7)25-31)44-36(45-35)51(23-20-17-2)33-28-41(12,13)48-42(14,15)29-33/h31-33,46-48H,16-30H2,1-15H3
• InChIKey: XOLRZGIPTAHNRB-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 84.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.17
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 58038481) is 2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CCCCN(c1nc(CN(CCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?

The InChIKey is XOLRZGIPTAHNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H81N9/c1-16-19-22-50(32-26-39(8,9)47-40(10,11)27-32)35-43-34(30-49(21-18-3)31-24-37(4,5)46-38(6,7)25-31)44-36(45-35)51(23-20-17-2)33-28-41(12,13)48-42(14,15)29-33/h31-33,46-48H,16-30H2,1-15H3.

What are the key properties of 2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?

2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 712.17 g/mol, XLogP of 8.22, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58038481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).