6-N-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C30H59N9 — CID 138690349

About 6-N-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

6-N-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 138690349) has the molecular formula C30H59N9 and a molecular weight of 545.87 g/mol. Its IUPAC name is 6-N-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-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-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 138690349
• Molecular Formula: C30H59N9
• Molecular Weight: 545.87 g/mol
• Exact Mass: 545.49
• IUPAC Name: 6-N-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCNCCCNc1nc(N(C)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(C)C2CC(C)(C)N(C)C(C)(C)C2)n1
• InChI: InChI=1S/C30H59N9/c1-14-31-16-15-17-32-24-33-25(36(10)22-18-27(2,3)38(12)28(4,5)19-22)35-26(34-24)37(11)23-20-29(6,7)39(13)30(8,9)21-23/h22-23,31H,14-21H2,1-13H3,(H,32,33,34,35)
• InChIKey: TVTZFNCSPGKNBW-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 75.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.87
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
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-N-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-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-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 138690349) is 6-N-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-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-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-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-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCNCCCNc1nc(N(C)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(C)C2CC(C)(C)N(C)C(C)(C)C2)n1.

What is the InChIKey of 6-N-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is TVTZFNCSPGKNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59N9/c1-14-31-16-15-17-32-24-33-25(36(10)22-18-27(2,3)38(12)28(4,5)19-22)35-26(34-24)37(11)23-20-29(6,7)39(13)30(8,9)21-23/h22-23,31H,14-21H2,1-13H3,(H,32,33,34,35).

What are the key properties of 6-N-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

6-N-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-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 545.87 g/mol, XLogP of 4.46, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[3-(ethylamino)propyl]-2-N,4-N-dimethyl-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 138690349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).