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

C37H68N8 — CID 59247817

About 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-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(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 59247817) has the molecular formula C37H68N8 and a molecular weight of 625.01 g/mol. Its IUPAC name is 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-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(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 59247817
• Molecular Formula: C37H68N8
• Molecular Weight: 625.01 g/mol
• Exact Mass: 624.56
• IUPAC Name: 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCN(c1nc(NCC2CC3CCC2C3)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C37H68N8/c1-11-13-17-44(29-21-34(3,4)42-35(5,6)22-29)32-39-31(38-25-28-20-26-15-16-27(28)19-26)40-33(41-32)45(18-14-12-2)30-23-36(7,8)43-37(9,10)24-30/h26-30,42-43H,11-25H2,1-10H3,(H,38,39,40,41)
• InChIKey: HSZYXCNYMWKYQC-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 81.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.01
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	3
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(2,2,6,6-tetramethylpiperidin-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(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 59247817) is 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-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(2,2,6,6-tetramethylpiperidin-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(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(NCC2CC3CCC2C3)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(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(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is HSZYXCNYMWKYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H68N8/c1-11-13-17-44(29-21-34(3,4)42-35(5,6)22-29)32-39-31(38-25-28-20-26-15-16-27(28)19-26)40-33(41-32)45(18-14-12-2)30-23-36(7,8)43-37(9,10)24-30/h26-30,42-43H,11-25H2,1-10H3,(H,38,39,40,41).

What are the key properties of 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-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(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 625.01 g/mol, XLogP of 7.55, 13 rotatable bonds, 3 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(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59247817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).