6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate

C63H102N6O12 — CID 23463425

About 6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate

6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate (PubChem CID 23463425) has the molecular formula C63H102N6O12 and a molecular weight of 1135.54 g/mol. Its IUPAC name is 6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate
• PubChem CID: 23463425
• Molecular Formula: C63H102N6O12
• Molecular Weight: 1135.54 g/mol
• Exact Mass: 1134.76
• IUPAC Name: 6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCCCCCN(CCCCCCOC(=O)C(=C)C)c1nc(N(CCCCCCOC(=O)C(=C)C)CCCCCCOC(=O)C(=C)C)nc(N(CCCCCCOC(=O)C(=C)C)CCCCCCOC(=O)C(=C)C)n1
• InChI: InChI=1S/C63H102N6O12/c1-49(2)55(70)76-43-31-19-13-25-37-67(38-26-14-20-32-44-77-56(71)50(3)4)61-64-62(68(39-27-15-21-33-45-78-57(72)51(5)6)40-28-16-22-34-46-79-58(73)52(7)8)66-63(65-61)69(41-29-17-23-35-47-80-59(74)53(9)10)42-30-18-24-36-48-81-60(75)54(11)12/h1,3,5,7,9,11,13-48H2,2,4,6,8,10,12H3
• InChIKey: CWEHXLKPHNXWFI-UHFFFAOYSA-N
• XLogP: 12.37
• TPSA: 206.19 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 51
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1135.54
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate?

The IUPAC name of 6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate (CID 23463425) is 6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate.

What is the SMILES notation for 6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate?

The canonical SMILES for 6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCN(CCCCCCOC(=O)C(=C)C)c1nc(N(CCCCCCOC(=O)C(=C)C)CCCCCCOC(=O)C(=C)C)nc(N(CCCCCCOC(=O)C(=C)C)CCCCCCOC(=O)C(=C)C)n1.

What is the InChIKey of 6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate?

The InChIKey is CWEHXLKPHNXWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H102N6O12/c1-49(2)55(70)76-43-31-19-13-25-37-67(38-26-14-20-32-44-77-56(71)50(3)4)61-64-62(68(39-27-15-21-33-45-78-57(72)51(5)6)40-28-16-22-34-46-79-58(73)52(7)8)66-63(65-61)69(41-29-17-23-35-47-80-59(74)53(9)10)42-30-18-24-36-48-81-60(75)54(11)12/h1,3,5,7,9,11,13-48H2,2,4,6,8,10,12H3.

What are the key properties of 6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate?

6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate has a molecular weight of 1135.54 g/mol, XLogP of 12.37, 51 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4,6-bis[bis[6-(2-methylprop-2-enoyloxy)hexyl]amino]-1,3,5-triazin-2-yl]-[6-(2-methylprop-2-enoyloxy)hexyl]amino]hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 23463425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).