6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C56H108N10 — CID 14365140

IUPAC6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCCCN(C)c1nc(N(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1
InChIInChI=1S/C56H108N10/c1-23-24-25-26-27-28-29-30-31-32-33-60(18)46-57-47(65(42-34-49(2,3)61(19)50(4,5)35-42)43-36-51(6,7)62(20)52(8,9)37-43)59-48(58-46)66(44-38-53(10,11)63(21)54(12,13)39-44)45-40-55(14,15)64(22)56(16,17)41-45/h42-45H,23-41H2,1-22H3
InChIKeyKZCYKVCJXKQCGF-UHFFFAOYSA-N
MW921.55 g/mol
LogP12.45
Rot. Bonds18

About 6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 14365140) has the molecular formula C56H108N10 and a molecular weight of 921.55 g/mol. Its IUPAC name is 6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID14365140
Molecular FormulaC56H108N10
Molecular Weight921.55 g/mol
Exact Mass920.88
IUPAC Name6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCCCN(C)c1nc(N(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1
InChIInChI=1S/C56H108N10/c1-23-24-25-26-27-28-29-30-31-32-33-60(18)46-57-47(65(42-34-49(2,3)61(19)50(4,5)35-42)43-36-51(6,7)62(20)52(8,9)37-43)59-48(58-46)66(44-38-53(10,11)63(21)54(12,13)39-44)45-40-55(14,15)64(22)56(16,17)41-45/h42-45H,23-41H2,1-22H3
InChIKeyKZCYKVCJXKQCGF-UHFFFAOYSA-N
XLogP12.45
TPSA61.35 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.55
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(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-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 14365140) is 6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCCCCCCCCCN(C)c1nc(N(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1.
What is the InChIKey of 6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KZCYKVCJXKQCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H108N10/c1-23-24-25-26-27-28-29-30-31-32-33-60(18)46-57-47(65(42-34-49(2,3)61(19)50(4,5)35-42)43-36-51(6,7)62(20)52(8,9)37-43)59-48(58-46)66(44-38-53(10,11)63(21)54(12,13)39-44)45-40-55(14,15)64(22)56(16,17)41-45/h42-45H,23-41H2,1-22H3.
What are the key properties of 6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 921.55 g/mol, XLogP of 12.45, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 14365140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).