4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C35H66N8 — CID 18720558

IUPAC4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC2CCCCC2)nc(N(CCCCCCN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C35H66N8/c1-26-36-30(38-27-18-14-13-15-19-27)39-31(37-26)43(29-24-34(6,7)41-35(8,9)25-29)21-17-12-11-16-20-42(10)28-22-32(2,3)40-33(4,5)23-28/h27-29,40-41H,11-25H2,1-10H3,(H,36,37,38,39)
InChIKeyRDWWCIURUHZERA-UHFFFAOYSA-N
MW598.97 g/mol
LogP6.84
Rot. Bonds12

About 4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 18720558) has the molecular formula C35H66N8 and a molecular weight of 598.97 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID18720558
Molecular FormulaC35H66N8
Molecular Weight598.97 g/mol
Exact Mass598.54
IUPAC Name4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC2CCCCC2)nc(N(CCCCCCN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C35H66N8/c1-26-36-30(38-27-18-14-13-15-19-27)39-31(37-26)43(29-24-34(6,7)41-35(8,9)25-29)21-17-12-11-16-20-42(10)28-22-32(2,3)40-33(4,5)23-28/h27-29,40-41H,11-25H2,1-10H3,(H,36,37,38,39)
InChIKeyRDWWCIURUHZERA-UHFFFAOYSA-N
XLogP6.84
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.97
LogP ≤ 56.84
H-Bond Donors ≤ 53
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 4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 18720558) is 4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is Cc1nc(NC2CCCCC2)nc(N(CCCCCCN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RDWWCIURUHZERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H66N8/c1-26-36-30(38-27-18-14-13-15-19-27)39-31(37-26)43(29-24-34(6,7)41-35(8,9)25-29)21-17-12-11-16-20-42(10)28-22-32(2,3)40-33(4,5)23-28/h27-29,40-41H,11-25H2,1-10H3,(H,36,37,38,39).
What are the key properties of 4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 598.97 g/mol, XLogP of 6.84, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18720558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).