6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C68H129N17 — CID 19839033

IUPAC6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(NCCN2CCN(c3nc(N(CCCC)C4CC(C)(C)N(C)C(C)(C)C4)nc(N(CCCC)C4CC(C)(C)N(C)C(C)(C)C4)n3)CC2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C68H129N17/c1-25-29-34-82(51-43-61(5,6)76(21)62(7,8)44-51)57-70-55(71-58(74-57)83(35-30-26-2)52-45-63(9,10)77(22)64(11,12)46-52)69-33-38-80-39-41-81(42-40-80)56-72-59(84(36-31-27-3)53-47-65(13,14)78(23)66(15,16)48-53)75-60(73-56)85(37-32-28-4)54-49-67(17,18)79(24)68(19,20)50-54/h51-54H,25-50H2,1-24H3,(H,69,70,71,74)
InChIKeyWXDDSTUNLMAEMU-UHFFFAOYSA-N
MW1184.90 g/mol
LogP12.32
Rot. Bonds25

About 6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 19839033) has the molecular formula C68H129N17 and a molecular weight of 1184.90 g/mol. Its IUPAC name is 6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID19839033
Molecular FormulaC68H129N17
Molecular Weight1184.90 g/mol
Exact Mass1184.06
IUPAC Name6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(NCCN2CCN(c3nc(N(CCCC)C4CC(C)(C)N(C)C(C)(C)C4)nc(N(CCCC)C4CC(C)(C)N(C)C(C)(C)C4)n3)CC2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C68H129N17/c1-25-29-34-82(51-43-61(5,6)76(21)62(7,8)44-51)57-70-55(71-58(74-57)83(35-30-26-2)52-45-63(9,10)77(22)64(11,12)46-52)69-33-38-80-39-41-81(42-40-80)56-72-59(84(36-31-27-3)53-47-65(13,14)78(23)66(15,16)48-53)75-60(73-56)85(37-32-28-4)54-49-67(17,18)79(24)68(19,20)50-54/h51-54H,25-50H2,1-24H3,(H,69,70,71,74)
InChIKeyWXDDSTUNLMAEMU-UHFFFAOYSA-N
XLogP12.32
TPSA121.77 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001184.90
LogP ≤ 512.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-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 6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 19839033) is 6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(NCCN2CCN(c3nc(N(CCCC)C4CC(C)(C)N(C)C(C)(C)C4)nc(N(CCCC)C4CC(C)(C)N(C)C(C)(C)C4)n3)CC2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WXDDSTUNLMAEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H129N17/c1-25-29-34-82(51-43-61(5,6)76(21)62(7,8)44-51)57-70-55(71-58(74-57)83(35-30-26-2)52-45-63(9,10)77(22)64(11,12)46-52)69-33-38-80-39-41-81(42-40-80)56-72-59(84(36-31-27-3)53-47-65(13,14)78(23)66(15,16)48-53)75-60(73-56)85(37-32-28-4)54-49-67(17,18)79(24)68(19,20)50-54/h51-54H,25-50H2,1-24H3,(H,69,70,71,74).
What are the key properties of 6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1184.90 g/mol, XLogP of 12.32, 25 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[4-[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19839033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).