2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane

C39H81N9 — CID 159566923

About 2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane

2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane (PubChem CID 159566923) has the molecular formula C39H81N9 and a molecular weight of 676.14 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane.

Molecular Properties

• Compound Name: 2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane
• PubChem CID: 159566923
• Molecular Formula: C39H81N9
• Molecular Weight: 676.14 g/mol
• Exact Mass: 675.66
• IUPAC Name: 2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane
• SMILES: C.C.CCCCCCNCNc1nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1
• InChI: InChI=1S/C37H73N9.2CH4/c1-13-16-19-20-21-38-28-39-31-40-32(45(22-17-14-2)29-24-34(4,5)43-35(6,7)25-29)42-33(41-31)46(23-18-15-3)30-26-36(8,9)44(12)37(10,11)27-30;;/h29-30,38,43H,13-28H2,1-12H3,(H,39,40,41,42);2*1H4
• InChIKey: MHHWXZUWWYZIRO-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 84.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.14
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane?

The IUPAC name of 2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane (CID 159566923) is 2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane.

What is the SMILES notation for 2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane?

The canonical SMILES for 2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane is C.C.CCCCCCNCNc1nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1.

What is the InChIKey of 2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane?

The InChIKey is MHHWXZUWWYZIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H73N9.2CH4/c1-13-16-19-20-21-38-28-39-31-40-32(45(22-17-14-2)29-24-34(4,5)43-35(6,7)25-29)42-33(41-31)46(23-18-15-3)30-26-36(8,9)44(12)37(10,11)27-30;;/h29-30,38,43H,13-28H2,1-12H3,(H,39,40,41,42);2*1H4.

What are the key properties of 2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane?

2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane has a molecular weight of 676.14 g/mol, XLogP of 8.86, 18 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-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane is sourced from PubChem (CID 159566923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).