6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C39H72N8 — CID 59247816

About 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 59247816) has the molecular formula C39H72N8 and a molecular weight of 653.06 g/mol. Its IUPAC name is 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 59247816
• Molecular Formula: C39H72N8
• Molecular Weight: 653.06 g/mol
• Exact Mass: 652.59
• IUPAC Name: 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCN(c1nc(NCC2CC3CCC2C3)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
• InChI: InChI=1S/C39H72N8/c1-13-15-19-46(31-23-36(3,4)44(11)37(5,6)24-31)34-41-33(40-27-30-22-28-17-18-29(30)21-28)42-35(43-34)47(20-16-14-2)32-25-38(7,8)45(12)39(9,10)26-32/h28-32H,13-27H2,1-12H3,(H,40,41,42,43)
• InChIKey: NAAHOWLYRBXLTQ-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 63.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.06
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 59247816) is 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(NCC2CC3CCC2C3)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1.

What is the InChIKey of 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is NAAHOWLYRBXLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H72N8/c1-13-15-19-46(31-23-36(3,4)44(11)37(5,6)24-31)34-41-33(40-27-30-22-28-17-18-29(30)21-28)42-35(43-34)47(20-16-14-2)32-25-38(7,8)45(12)39(9,10)26-32/h28-32H,13-27H2,1-12H3,(H,40,41,42,43).

What are the key properties of 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 653.06 g/mol, XLogP of 8.24, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59247816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).