6-N-[3-(diethylamino)propyl]-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C50H97N11 — CID 14365142

About 6-N-[3-(diethylamino)propyl]-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

6-N-[3-(diethylamino)propyl]-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 14365142) has the molecular formula C50H97N11 and a molecular weight of 852.40 g/mol. Its IUPAC name is 6-N-[3-(diethylamino)propyl]-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 6-N-[3-(diethylamino)propyl]-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 14365142
• Molecular Formula: C50H97N11
• Molecular Weight: 852.40 g/mol
• Exact Mass: 851.79
• IUPAC Name: 6-N-[3-(diethylamino)propyl]-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCN(CC)CCCNc1nc(N(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1
• InChI: InChI=1S/C50H97N11/c1-23-59(24-2)27-25-26-51-40-52-41(60(36-28-43(3,4)55(19)44(5,6)29-36)37-30-45(7,8)56(20)46(9,10)31-37)54-42(53-40)61(38-32-47(11,12)57(21)48(13,14)33-38)39-34-49(15,16)58(22)50(17,18)35-39/h36-39H,23-35H2,1-22H3,(H,51,52,53,54)
• InChIKey: GHYSKWBXLCHXMH-UHFFFAOYSA-N
• XLogP: 9.23
• TPSA: 73.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	852.40
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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-(diethylamino)propyl]-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 6-N-[3-(diethylamino)propyl]-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 14365142) is 6-N-[3-(diethylamino)propyl]-2-N,2-N,4-N,4-N-tetrakis(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-(diethylamino)propyl]-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 6-N-[3-(diethylamino)propyl]-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)CCCNc1nc(N(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1.

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

The InChIKey is GHYSKWBXLCHXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H97N11/c1-23-59(24-2)27-25-26-51-40-52-41(60(36-28-43(3,4)55(19)44(5,6)29-36)37-30-45(7,8)56(20)46(9,10)31-37)54-42(53-40)61(38-32-47(11,12)57(21)48(13,14)33-38)39-34-49(15,16)58(22)50(17,18)35-39/h36-39H,23-35H2,1-22H3,(H,51,52,53,54).

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

6-N-[3-(diethylamino)propyl]-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 852.40 g/mol, XLogP of 9.23, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[3-(diethylamino)propyl]-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 14365142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).