4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C104H202N16O4 — CID 18338383

IUPAC4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCON1C(C)(C)CC(N(CCCC)c2nc(N(CCCC)CCCC)nc(N(CCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)n3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C104H202N16O4/c1-27-37-47-51-57-63-75-121-117-97(11,12)79-87(80-98(117,13)14)113(71-45-35-9)93-105-91(111(67-41-31-5)68-42-32-6)107-95(109-93)115(89-83-101(19,20)119(102(21,22)84-89)123-77-65-59-53-49-39-29-3)73-61-55-56-62-74-116(90-85-103(23,24)120(104(25,26)86-90)124-78-66-60-54-50-40-30-4)96-108-92(112(69-43-33-7)70-44-34-8)106-94(110-96)114(72-46-36-10)88-81-99(15,16)118(100(17,18)82-88)122-76-64-58-52-48-38-28-2/h87-90H,27-86H2,1-26H3
InChIKeyRPOUXEFGFCJQIO-UHFFFAOYSA-N
MW1740.87 g/mol
LogP27.21
Rot. Bonds67

About 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 18338383) has the molecular formula C104H202N16O4 and a molecular weight of 1740.87 g/mol. Its IUPAC name is 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID18338383
Molecular FormulaC104H202N16O4
Molecular Weight1740.87 g/mol
Exact Mass1739.61
IUPAC Name4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCON1C(C)(C)CC(N(CCCC)c2nc(N(CCCC)CCCC)nc(N(CCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)n3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C104H202N16O4/c1-27-37-47-51-57-63-75-121-117-97(11,12)79-87(80-98(117,13)14)113(71-45-35-9)93-105-91(111(67-41-31-5)68-42-32-6)107-95(109-93)115(89-83-101(19,20)119(102(21,22)84-89)123-77-65-59-53-49-39-29-3)73-61-55-56-62-74-116(90-85-103(23,24)120(104(25,26)86-90)124-78-66-60-54-50-40-30-4)96-108-92(112(69-43-33-7)70-44-34-8)106-94(110-96)114(72-46-36-10)88-81-99(15,16)118(100(17,18)82-88)122-76-64-58-52-48-38-28-2/h87-90H,27-86H2,1-26H3
InChIKeyRPOUXEFGFCJQIO-UHFFFAOYSA-N
XLogP27.21
TPSA146.66 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds67
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001740.87
LogP ≤ 527.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 18338383) is 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCCCCCON1C(C)(C)CC(N(CCCC)c2nc(N(CCCC)CCCC)nc(N(CCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)n3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C.
What is the InChIKey of 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RPOUXEFGFCJQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H202N16O4/c1-27-37-47-51-57-63-75-121-117-97(11,12)79-87(80-98(117,13)14)113(71-45-35-9)93-105-91(111(67-41-31-5)68-42-32-6)107-95(109-93)115(89-83-101(19,20)119(102(21,22)84-89)123-77-65-59-53-49-39-29-3)73-61-55-56-62-74-116(90-85-103(23,24)120(104(25,26)86-90)124-78-66-60-54-50-40-30-4)96-108-92(112(69-43-33-7)70-44-34-8)106-94(110-96)114(72-46-36-10)88-81-99(15,16)118(100(17,18)82-88)122-76-64-58-52-48-38-28-2/h87-90H,27-86H2,1-26H3.
What are the key properties of 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1740.87 g/mol, XLogP of 27.21, 67 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18338383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).