4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C47H90N10O2 — CID 14365131

About 4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 14365131) has the molecular formula C47H90N10O2 and a molecular weight of 827.30 g/mol. Its IUPAC name is 4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 14365131
• Molecular Formula: C47H90N10O2
• Molecular Weight: 827.30 g/mol
• Exact Mass: 826.72
• IUPAC Name: 4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: COCCCN(c1nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C47H90N10O2/c1-40(2)25-33(26-41(3,4)51-40)55(21-19-23-58-17)37-48-38(56(22-20-24-59-18)34-27-42(5,6)52-43(7,8)28-34)50-39(49-37)57(35-29-44(9,10)53-45(11,12)30-35)36-31-46(13,14)54-47(15,16)32-36/h33-36,51-54H,19-32H2,1-18H3
• InChIKey: HMQNOBNWWHTKCX-UHFFFAOYSA-N
• XLogP: 7.60
• TPSA: 114.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	827.30
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 14365131) is 4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is COCCCN(c1nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is HMQNOBNWWHTKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H90N10O2/c1-40(2)25-33(26-41(3,4)51-40)55(21-19-23-58-17)37-48-38(56(22-20-24-59-18)34-27-42(5,6)52-43(7,8)28-34)50-39(49-37)57(35-29-44(9,10)53-45(11,12)30-35)36-31-46(13,14)54-47(15,16)32-36/h33-36,51-54H,19-32H2,1-18H3.

What are the key properties of 4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 827.30 g/mol, XLogP of 7.60, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 14365131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).