6-N-methyl-6-N-octyl-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

C52H100N10 — CID 14365138

IUPAC6-N-methyl-6-N-octyl-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
SMILESCCCCCCCCN(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/C52H100N10/c1-23-24-25-26-27-28-29-56(18)42-53-43(61(38-30-45(2,3)57(19)46(4,5)31-38)39-32-47(6,7)58(20)48(8,9)33-39)55-44(54-42)62(40-34-49(10,11)59(21)50(12,13)35-40)41-36-51(14,15)60(22)52(16,17)37-41/h38-41H,23-37H2,1-22H3
InChIKeyQHFLIPSRAINCEZ-UHFFFAOYSA-N
MW865.44 g/mol
LogP10.89
Rot. Bonds14

About 6-N-methyl-6-N-octyl-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-methyl-6-N-octyl-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 14365138) has the molecular formula C52H100N10 and a molecular weight of 865.44 g/mol. Its IUPAC name is 6-N-methyl-6-N-octyl-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-methyl-6-N-octyl-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 CID14365138
Molecular FormulaC52H100N10
Molecular Weight865.44 g/mol
Exact Mass864.81
IUPAC Name6-N-methyl-6-N-octyl-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
SMILESCCCCCCCCN(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/C52H100N10/c1-23-24-25-26-27-28-29-56(18)42-53-43(61(38-30-45(2,3)57(19)46(4,5)31-38)39-32-47(6,7)58(20)48(8,9)33-39)55-44(54-42)62(40-34-49(10,11)59(21)50(12,13)35-40)41-36-51(14,15)60(22)52(16,17)37-41/h38-41H,23-37H2,1-22H3
InChIKeyQHFLIPSRAINCEZ-UHFFFAOYSA-N
XLogP10.89
TPSA61.35 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.44
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 6-N-methyl-6-N-octyl-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-methyl-6-N-octyl-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 14365138) is 6-N-methyl-6-N-octyl-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-methyl-6-N-octyl-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-methyl-6-N-octyl-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 CCCCCCCCN(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-methyl-6-N-octyl-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 QHFLIPSRAINCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H100N10/c1-23-24-25-26-27-28-29-56(18)42-53-43(61(38-30-45(2,3)57(19)46(4,5)31-38)39-32-47(6,7)58(20)48(8,9)33-39)55-44(54-42)62(40-34-49(10,11)59(21)50(12,13)35-40)41-36-51(14,15)60(22)52(16,17)37-41/h38-41H,23-37H2,1-22H3.
What are the key properties of 6-N-methyl-6-N-octyl-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-methyl-6-N-octyl-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 865.44 g/mol, XLogP of 10.89, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-octyl-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 14365138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).