2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate

C165H304N32O4 — CID 91610887

About 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate

2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate (PubChem CID 91610887) has the molecular formula C165H304N32O4 and a molecular weight of 2800.47 g/mol. Its IUPAC name is 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate.

Molecular Properties

• Compound Name: 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate
• PubChem CID: 91610887
• Molecular Formula: C165H304N32O4
• Molecular Weight: 2800.47 g/mol
• Exact Mass: 2798.46
• IUPAC Name: 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate
• SMILES: CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.COc1ccc(/C=C(/CC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)cc1.Cc1nc(N2CCOCC2)nc(N(CCCCCCN(C)C2CC(C)(C)CC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
• InChI: InChI=1S/C102H195N23.C34H63N7O.C29H46N2O3/c1-30-39-56-117(57-40-31-2)84-103-85(118(58-41-32-3)59-42-33-4)106-88(105-84)122(80-71-95(14,15)113-96(16,17)72-80)65-52-48-50-54-67-124(82-75-99(22,23)115-100(24,25)76-82)91-109-90(121(64-47-38-9)79-69-93(10,11)112-94(12,13)70-79)110-92(111-91)125(83-77-101(26,27)116-102(28,29)78-83)68-55-51-49-53-66-123(81-73-97(18,19)114-98(20,21)74-81)89-107-86(119(60-43-34-5)61-44-35-6)104-87(108-89)120(62-45-36-7)63-46-37-8;1-26-35-29(40-17-19-42-20-18-40)37-30(36-26)41(28-23-33(6,7)38-34(8,9)24-28)16-14-12-11-13-15-39(10)27-21-31(2,3)25-32(4,5)22-27;1-26(2)16-21(17-27(3,4)30-26)15-22(14-20-10-12-23(33-9)13-11-20)25(32)34-24-18-28(5,6)31-29(7,8)19-24/h79-83,112-116H,30-78H2,1-29H3;27-28,38H,11-25H2,1-10H3;10-14,21,24,30-31H,15-19H2,1-9H3/b;;22-14-
• InChIKey: CRBBXESJGIVIFN-VTXKLPJVSA-N
• XLogP: 33.87
• TPSA: 334.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 72
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2800.47
LogP ≤ 5	33.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'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 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate?

The IUPAC name of 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate (CID 91610887) is 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate.

What is the SMILES notation for 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate?

The canonical SMILES for 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate is CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.COc1ccc(/C=C(/CC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)cc1.Cc1nc(N2CCOCC2)nc(N(CCCCCCN(C)C2CC(C)(C)CC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.

What is the InChIKey of 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate?

The InChIKey is CRBBXESJGIVIFN-VTXKLPJVSA-N. The full InChI is InChI=1S/C102H195N23.C34H63N7O.C29H46N2O3/c1-30-39-56-117(57-40-31-2)84-103-85(118(58-41-32-3)59-42-33-4)106-88(105-84)122(80-71-95(14,15)113-96(16,17)72-80)65-52-48-50-54-67-124(82-75-99(22,23)115-100(24,25)76-82)91-109-90(121(64-47-38-9)79-69-93(10,11)112-94(12,13)70-79)110-92(111-91)125(83-77-101(26,27)116-102(28,29)78-83)68-55-51-49-53-66-123(81-73-97(18,19)114-98(20,21)74-81)89-107-86(119(60-43-34-5)61-44-35-6)104-87(108-89)120(62-45-36-7)63-46-37-8;1-26-35-29(40-17-19-42-20-18-40)37-30(36-26)41(28-23-33(6,7)38-34(8,9)24-28)16-14-12-11-13-15-39(10)27-21-31(2,3)25-32(4,5)22-27;1-26(2)16-21(17-27(3,4)30-26)15-22(14-20-10-12-23(33-9)13-11-20)25(32)34-24-18-28(5,6)31-29(7,8)19-24/h79-83,112-116H,30-78H2,1-29H3;27-28,38H,11-25H2,1-10H3;10-14,21,24,30-31H,15-19H2,1-9H3/b;;22-14-.

What are the key properties of 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate?

2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate has a molecular weight of 2800.47 g/mol, XLogP of 33.87, 72 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(3,3,5,5-tetramethylcyclohexyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;(2,2,6,6-tetramethylpiperidin-4-yl) (Z)-3-(4-methoxyphenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]prop-2-enoate is sourced from PubChem (CID 91610887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).