4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C58H104N14 — CID 54284528

About 4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 54284528) has the molecular formula C58H104N14 and a molecular weight of 997.57 g/mol. Its IUPAC name is 4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 54284528
• Molecular Formula: C58H104N14
• Molecular Weight: 997.57 g/mol
• Exact Mass: 996.86
• IUPAC Name: 4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: C=CCN(CC=C)c1nc(NC(C)(C)CCCCC)nc(N(CCCCCCN(c2nc(NC(C)(C)CCCCC)nc(N(CC=C)CC=C)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
• InChI: InChI=1S/C58H104N14/c1-19-25-29-33-53(7,8)65-47-59-49(69(35-21-3)36-22-4)63-51(61-47)71(45-41-55(11,12)67-56(13,14)42-45)39-31-27-28-32-40-72(46-43-57(15,16)68-58(17,18)44-46)52-62-48(66-54(9,10)34-30-26-20-2)60-50(64-52)70(37-23-5)38-24-6/h21-24,45-46,67-68H,3-6,19-20,25-44H2,1-2,7-18H3,(H,59,61,63,65)(H,60,62,64,66)
• InChIKey: RTDZUFJTDLSGHP-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 138.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 33
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	997.57
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 54284528) is 4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is C=CCN(CC=C)c1nc(NC(C)(C)CCCCC)nc(N(CCCCCCN(c2nc(NC(C)(C)CCCCC)nc(N(CC=C)CC=C)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.

What is the InChIKey of 4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is RTDZUFJTDLSGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H104N14/c1-19-25-29-33-53(7,8)65-47-59-49(69(35-21-3)36-22-4)63-51(61-47)71(45-41-55(11,12)67-56(13,14)42-45)39-31-27-28-32-40-72(46-43-57(15,16)68-58(17,18)44-46)52-62-48(66-54(9,10)34-30-26-20-2)60-50(64-52)70(37-23-5)38-24-6/h21-24,45-46,67-68H,3-6,19-20,25-44H2,1-2,7-18H3,(H,59,61,63,65)(H,60,62,64,66).

What are the key properties of 4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 997.57 g/mol, XLogP of 12.45, 33 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-(2-methylheptan-2-ylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-N-(2-methylheptan-2-yl)-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 54284528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).