2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine

C61H120N8 — CID 59247815

IUPAC2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCCCCCNc1nc(N(CCCCCCCCCCCC)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(CCCCCCCCCCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1
InChIInChI=1S/C61H120N8/c1-14-17-20-23-26-29-32-33-34-37-40-43-46-62-55-63-56(68(47-44-41-38-35-30-27-24-21-18-15-2)53-49-58(4,5)66(12)59(6,7)50-53)65-57(64-55)69(48-45-42-39-36-31-28-25-22-19-16-3)54-51-60(8,9)67(13)61(10,11)52-54/h53-54H,14-52H2,1-13H3,(H,62,63,64,65)
InChIKeyGKJMDZIARUTBIM-UHFFFAOYSA-N
MW965.69 g/mol
LogP17.74
Rot. Bonds40

About 2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 59247815) has the molecular formula C61H120N8 and a molecular weight of 965.69 g/mol. Its IUPAC name is 2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine
PubChem CID59247815
Molecular FormulaC61H120N8
Molecular Weight965.69 g/mol
Exact Mass964.96
IUPAC Name2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCCCCCNc1nc(N(CCCCCCCCCCCC)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(CCCCCCCCCCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1
InChIInChI=1S/C61H120N8/c1-14-17-20-23-26-29-32-33-34-37-40-43-46-62-55-63-56(68(47-44-41-38-35-30-27-24-21-18-15-2)53-49-58(4,5)66(12)59(6,7)50-53)65-57(64-55)69(48-45-42-39-36-31-28-25-22-19-16-3)54-51-60(8,9)67(13)61(10,11)52-54/h53-54H,14-52H2,1-13H3,(H,62,63,64,65)
InChIKeyGKJMDZIARUTBIM-UHFFFAOYSA-N
XLogP17.74
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds40
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.69
LogP ≤ 517.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine (CID 59247815) is 2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine is CCCCCCCCCCCCCCNc1nc(N(CCCCCCCCCCCC)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(CCCCCCCCCCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1.
What is the InChIKey of 2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GKJMDZIARUTBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H120N8/c1-14-17-20-23-26-29-32-33-34-37-40-43-46-62-55-63-56(68(47-44-41-38-35-30-27-24-21-18-15-2)53-49-58(4,5)66(12)59(6,7)50-53)65-57(64-55)69(48-45-42-39-36-31-28-25-22-19-16-3)54-51-60(8,9)67(13)61(10,11)52-54/h53-54H,14-52H2,1-13H3,(H,62,63,64,65).
What are the key properties of 2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 965.69 g/mol, XLogP of 17.74, 40 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-didodecyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-tetradecyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59247815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).