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

C37H72N8 — CID 22948077

IUPAC6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC(C)(C)CC(C)(C)C)nc(N(CCCCCCN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C37H72N8/c1-27-38-30(41-37(13,14)26-32(2,3)4)40-31(39-27)45(29-24-35(9,10)43-36(11,12)25-29)21-19-17-16-18-20-44(15)28-22-33(5,6)42-34(7,8)23-28/h28-29,42-43H,16-26H2,1-15H3,(H,38,39,40,41)
InChIKeyTZPIRNSFKLBHSS-UHFFFAOYSA-N
MW629.04 g/mol
LogP7.72
Rot. Bonds13

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

6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 22948077) has the molecular formula C37H72N8 and a molecular weight of 629.04 g/mol. Its IUPAC name is 6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID22948077
Molecular FormulaC37H72N8
Molecular Weight629.04 g/mol
Exact Mass628.59
IUPAC Name6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC(C)(C)CC(C)(C)C)nc(N(CCCCCCN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C37H72N8/c1-27-38-30(41-37(13,14)26-32(2,3)4)40-31(39-27)45(29-24-35(9,10)43-36(11,12)25-29)21-19-17-16-18-20-44(15)28-22-33(5,6)42-34(7,8)23-28/h28-29,42-43H,16-26H2,1-15H3,(H,38,39,40,41)
InChIKeyTZPIRNSFKLBHSS-UHFFFAOYSA-N
XLogP7.72
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.04
LogP ≤ 57.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 22948077) is 6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is Cc1nc(NC(C)(C)CC(C)(C)C)nc(N(CCCCCCN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is TZPIRNSFKLBHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H72N8/c1-27-38-30(41-37(13,14)26-32(2,3)4)40-31(39-27)45(29-24-35(9,10)43-36(11,12)25-29)21-19-17-16-18-20-44(15)28-22-33(5,6)42-34(7,8)23-28/h28-29,42-43H,16-26H2,1-15H3,(H,38,39,40,41).
What are the key properties of 6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 629.04 g/mol, XLogP of 7.72, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22948077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).