4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine

C76H138N24 — CID 159833461

IUPAC4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine
SMILESCCCCN(c1ncnc(CCCCC(CCC(NNNNc2ncnc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)c2ncnc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)c2ncnc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C76H138N24/c1-25-29-39-97(56-43-69(5,6)93(21)70(7,8)44-56)65-81-51-77-61(85-65)36-34-33-35-55(62-78-52-82-66(86-62)98(40-30-26-2)57-45-71(9,10)94(22)72(11,12)46-57)37-38-60(63-79-53-83-67(87-63)99(41-31-27-3)58-47-73(13,14)95(23)74(15,16)48-58)89-91-92-90-64-80-54-84-68(88-64)100(42-32-28-4)59-49-75(17,18)96(24)76(19,20)50-59/h51-60,89,91-92H,25-50H2,1-24H3,(H,80,84,88,90)
InChIKeyNNTCDZMPRTYOBA-UHFFFAOYSA-N
MW1388.11 g/mol
LogP13.10
Rot. Bonds35

About 4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine

4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine (PubChem CID 159833461) has the molecular formula C76H138N24 and a molecular weight of 1388.11 g/mol. Its IUPAC name is 4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine
PubChem CID159833461
Molecular FormulaC76H138N24
Molecular Weight1388.11 g/mol
Exact Mass1387.15
IUPAC Name4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine
SMILESCCCCN(c1ncnc(CCCCC(CCC(NNNNc2ncnc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)c2ncnc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)c2ncnc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C76H138N24/c1-25-29-39-97(56-43-69(5,6)93(21)70(7,8)44-56)65-81-51-77-61(85-65)36-34-33-35-55(62-78-52-82-66(86-62)98(40-30-26-2)57-45-71(9,10)94(22)72(11,12)46-57)37-38-60(63-79-53-83-67(87-63)99(41-31-27-3)58-47-73(13,14)95(23)74(15,16)48-58)89-91-92-90-64-80-54-84-68(88-64)100(42-32-28-4)59-49-75(17,18)96(24)76(19,20)50-59/h51-60,89,91-92H,25-50H2,1-24H3,(H,80,84,88,90)
InChIKeyNNTCDZMPRTYOBA-UHFFFAOYSA-N
XLogP13.10
TPSA228.72 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001388.11
LogP ≤ 513.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine (CID 159833461) is 4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine is CCCCN(c1ncnc(CCCCC(CCC(NNNNc2ncnc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)c2ncnc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)c2ncnc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)n1)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is NNTCDZMPRTYOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H138N24/c1-25-29-39-97(56-43-69(5,6)93(21)70(7,8)44-56)65-81-51-77-61(85-65)36-34-33-35-55(62-78-52-82-66(86-62)98(40-30-26-2)57-45-71(9,10)94(22)72(11,12)46-57)37-38-60(63-79-53-83-67(87-63)99(41-31-27-3)58-47-73(13,14)95(23)74(15,16)48-58)89-91-92-90-64-80-54-84-68(88-64)100(42-32-28-4)59-49-75(17,18)96(24)76(19,20)50-59/h51-60,89,91-92H,25-50H2,1-24H3,(H,80,84,88,90).
What are the key properties of 4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 1388.11 g/mol, XLogP of 13.10, 35 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 159833461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).