6-[1,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine

C43H85N9 — CID 159254799

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

6-[1,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine (PubChem CID 159254799) has the molecular formula C43H85N9 and a molecular weight of 728.22 g/mol. Its IUPAC name is 6-[1,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[1,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 159254799
• Molecular Formula: C43H85N9
• Molecular Weight: 728.22 g/mol
• Exact Mass: 727.69
• IUPAC Name: 6-[1,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine
• SMILES: CCCCN(CCCC)c1nc(C(CCCCCNC2CC(C)(C)NC(C)(C)C2)NC2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)CCCC)n1
• InChI: InChI=1S/C43H85N9/c1-13-17-26-51(27-18-14-2)38-46-37(47-39(48-38)52(28-19-15-3)29-20-16-4)36(45-35-32-42(9,10)50-43(11,12)33-35)24-22-21-23-25-44-34-30-40(5,6)49-41(7,8)31-34/h34-36,44-45,49-50H,13-33H2,1-12H3
• InChIKey: KVTHQOKNZHKZPF-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 93.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 24
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.22
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[1,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine (CID 159254799) is 6-[1,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine.

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

The canonical SMILES for 6-[1,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine is CCCCN(CCCC)c1nc(C(CCCCCNC2CC(C)(C)NC(C)(C)C2)NC2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)CCCC)n1.

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

The InChIKey is KVTHQOKNZHKZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H85N9/c1-13-17-26-51(27-18-14-2)38-46-37(47-39(48-38)52(28-19-15-3)29-20-16-4)36(45-35-32-42(9,10)50-43(11,12)33-35)24-22-21-23-25-44-34-30-40(5,6)49-41(7,8)31-34/h34-36,44-45,49-50H,13-33H2,1-12H3.

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

6-[1,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine has a molecular weight of 728.22 g/mol, XLogP of 9.08, 24 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159254799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).