N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine

C67H118N18O12 — CID 91304177

IUPACN,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine
SMILESCC1(C)CC(Oc2nc(NCCN(CCNc3nc(OC4CC(C)(C)N(O)C(C)(C)C4)nc(OC4CC(C)(C)N(O)C(C)(C)C4)n3)c3nc(OC4CC(C)(C)N(O)C(C)(C)C4)nc(OC4CC(C)(C)N(O)C(C)(C)C4)n3)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C67H118N18O12/c1-56(2)29-41(30-57(3,4)80(56)86)92-50-70-47(71-51(76-50)93-42-31-58(5,6)81(87)59(7,8)32-42)68-25-27-79(49-74-54(96-45-37-64(17,18)84(90)65(19,20)38-45)78-55(75-49)97-46-39-66(21,22)85(91)67(23,24)40-46)28-26-69-48-72-52(94-43-33-60(9,10)82(88)61(11,12)34-43)77-53(73-48)95-44-35-62(13,14)83(89)63(15,16)36-44/h41-46,86-91H,25-40H2,1-24H3,(H,68,70,71,76)(H,69,72,73,77)
InChIKeyFHJGNIVELZMDPT-UHFFFAOYSA-N
MW1367.79 g/mol
LogP10.01
Rot. Bonds21

About N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine

N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine (PubChem CID 91304177) has the molecular formula C67H118N18O12 and a molecular weight of 1367.79 g/mol. Its IUPAC name is N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine
PubChem CID91304177
Molecular FormulaC67H118N18O12
Molecular Weight1367.79 g/mol
Exact Mass1366.92
IUPAC NameN,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine
SMILESCC1(C)CC(Oc2nc(NCCN(CCNc3nc(OC4CC(C)(C)N(O)C(C)(C)C4)nc(OC4CC(C)(C)N(O)C(C)(C)C4)n3)c3nc(OC4CC(C)(C)N(O)C(C)(C)C4)nc(OC4CC(C)(C)N(O)C(C)(C)C4)n3)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C67H118N18O12/c1-56(2)29-41(30-57(3,4)80(56)86)92-50-70-47(71-51(76-50)93-42-31-58(5,6)81(87)59(7,8)32-42)68-25-27-79(49-74-54(96-45-37-64(17,18)84(90)65(19,20)38-45)78-55(75-49)97-46-39-66(21,22)85(91)67(23,24)40-46)28-26-69-48-72-52(94-43-33-60(9,10)82(88)61(11,12)34-43)77-53(73-48)95-44-35-62(13,14)83(89)63(15,16)36-44/h41-46,86-91H,25-40H2,1-24H3,(H,68,70,71,76)(H,69,72,73,77)
InChIKeyFHJGNIVELZMDPT-UHFFFAOYSA-N
XLogP10.01
TPSA339.51 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001367.79
LogP ≤ 510.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine with MolForge

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Related Compounds

2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
CID 22967249
CID 59482459
CID 59482459
4-N-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-N,2-N-bis[2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)-[4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 54254693
CID 59482500
CID 59482500
2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine
CID 91807159
2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-6-[(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)oxy]-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 91369181
N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
CID 22068158
CID 59482472
CID 59482472
2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 163565522
CID 59482503
CID 59482503
CID 59482380
CID 59482380
6-N-[3-[[4,6-bis[1-methoxypropyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-methoxypropyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-methoxypropyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis(1-methoxypropyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 87672371

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine (CID 91304177) is N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine is CC1(C)CC(Oc2nc(NCCN(CCNc3nc(OC4CC(C)(C)N(O)C(C)(C)C4)nc(OC4CC(C)(C)N(O)C(C)(C)C4)n3)c3nc(OC4CC(C)(C)N(O)C(C)(C)C4)nc(OC4CC(C)(C)N(O)C(C)(C)C4)n3)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O.
What is the InChIKey of N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine?
The InChIKey is FHJGNIVELZMDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H118N18O12/c1-56(2)29-41(30-57(3,4)80(56)86)92-50-70-47(71-51(76-50)93-42-31-58(5,6)81(87)59(7,8)32-42)68-25-27-79(49-74-54(96-45-37-64(17,18)84(90)65(19,20)38-45)78-55(75-49)97-46-39-66(21,22)85(91)67(23,24)40-46)28-26-69-48-72-52(94-43-33-60(9,10)82(88)61(11,12)34-43)77-53(73-48)95-44-35-62(13,14)83(89)63(15,16)36-44/h41-46,86-91H,25-40H2,1-24H3,(H,68,70,71,76)(H,69,72,73,77).
What are the key properties of N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine?
N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 1367.79 g/mol, XLogP of 10.01, 21 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 91304177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).