2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C60H111N9O3 — CID 19768379

About 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 19768379) has the molecular formula C60H111N9O3 and a molecular weight of 1006.61 g/mol. Its IUPAC name is 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 19768379
• Molecular Formula: C60H111N9O3
• Molecular Weight: 1006.61 g/mol
• Exact Mass: 1005.88
• IUPAC Name: 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCN(c1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
• InChI: InChI=1S/C60H111N9O3/c1-16-19-37-64(46-40-55(4,5)67(56(6,7)41-46)70-49-31-25-22-26-32-49)52-61-53(65(38-20-17-2)47-42-57(8,9)68(58(10,11)43-47)71-50-33-27-23-28-34-50)63-54(62-52)66(39-21-18-3)48-44-59(12,13)69(60(14,15)45-48)72-51-35-29-24-30-36-51/h46-51H,16-45H2,1-15H3
• InChIKey: BUSCCEJMFQWHHS-UHFFFAOYSA-N
• XLogP: 14.55
• TPSA: 85.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1006.61
LogP ≤ 5	14.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 19768379) is 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.

What is the InChIKey of 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is BUSCCEJMFQWHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H111N9O3/c1-16-19-37-64(46-40-55(4,5)67(56(6,7)41-46)70-49-31-25-22-26-32-49)52-61-53(65(38-20-17-2)47-42-57(8,9)68(58(10,11)43-47)71-50-33-27-23-28-34-50)63-54(62-52)66(39-21-18-3)48-44-59(12,13)69(60(14,15)45-48)72-51-35-29-24-30-36-51/h46-51H,16-45H2,1-15H3.

What are the key properties of 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1006.61 g/mol, XLogP of 14.55, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19768379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).