2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C65H124N16O4 — CID 18716464

IUPAC2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(N(CCC)CCCNc2nc(N(CCCC)C3CC(C)(C)N(OC)C(C)(C)C3)nc(N(CCCC)C3CC(C)(C)N(OC)C(C)(C)C3)n2)nc(N(C)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C65H124N16O4/c1-26-30-37-75(49-42-60(9,10)79(83-23)61(11,12)43-49)55-67-52(68-56(72-55)76(38-31-27-2)50-44-62(13,14)80(84-24)63(15,16)45-50)66-34-33-36-74(35-29-4)54-69-53(73(21)48-40-58(5,6)78(82-22)59(7,8)41-48)70-57(71-54)77(39-32-28-3)51-46-64(17,18)81(85-25)65(19,20)47-51/h48-51H,26-47H2,1-25H3,(H,66,67,68,72)
InChIKeyJXWYAKBIOGDTQX-UHFFFAOYSA-N
MW1193.81 g/mol
LogP12.36
Rot. Bonds29

About 2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 18716464) has the molecular formula C65H124N16O4 and a molecular weight of 1193.81 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID18716464
Molecular FormulaC65H124N16O4
Molecular Weight1193.81 g/mol
Exact Mass1193.00
IUPAC Name2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(N(CCC)CCCNc2nc(N(CCCC)C3CC(C)(C)N(OC)C(C)(C)C3)nc(N(CCCC)C3CC(C)(C)N(OC)C(C)(C)C3)n2)nc(N(C)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C65H124N16O4/c1-26-30-37-75(49-42-60(9,10)79(83-23)61(11,12)43-49)55-67-52(68-56(72-55)76(38-31-27-2)50-44-62(13,14)80(84-24)63(15,16)45-50)66-34-33-36-74(35-29-4)54-69-53(73(21)48-40-58(5,6)78(82-22)59(7,8)41-48)70-57(71-54)77(39-32-28-3)51-46-64(17,18)81(85-25)65(19,20)47-51/h48-51H,26-47H2,1-25H3,(H,66,67,68,72)
InChIKeyJXWYAKBIOGDTQX-UHFFFAOYSA-N
XLogP12.36
TPSA155.45 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.81
LogP ≤ 512.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-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 2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 18716464) is 2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(N(CCC)CCCNc2nc(N(CCCC)C3CC(C)(C)N(OC)C(C)(C)C3)nc(N(CCCC)C3CC(C)(C)N(OC)C(C)(C)C3)n2)nc(N(C)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1.
What is the InChIKey of 2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JXWYAKBIOGDTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H124N16O4/c1-26-30-37-75(49-42-60(9,10)79(83-23)61(11,12)43-49)55-67-52(68-56(72-55)76(38-31-27-2)50-44-62(13,14)80(84-24)63(15,16)45-50)66-34-33-36-74(35-29-4)54-69-53(73(21)48-40-58(5,6)78(82-22)59(7,8)41-48)70-57(71-54)77(39-32-28-3)51-46-64(17,18)81(85-25)65(19,20)47-51/h48-51H,26-47H2,1-25H3,(H,66,67,68,72).
What are the key properties of 2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1193.81 g/mol, XLogP of 12.36, 29 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18716464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).