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

C35H68N8 — CID 3446490

IUPAC2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CC(C)(C)Nc1ncnc(N(CCCCCCNC2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C35H68N8/c1-30(2,3)24-35(12,13)40-28-37-25-38-29(39-28)43(27-22-33(8,9)42-34(10,11)23-27)19-17-15-14-16-18-36-26-20-31(4,5)41-32(6,7)21-26/h25-27,36,41-42H,14-24H2,1-13H3,(H,37,38,39,40)
InChIKeyLZVMGBSAHNBBOW-UHFFFAOYSA-N
MW600.99 g/mol
LogP7.07
Rot. Bonds13

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

2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 3446490) has the molecular formula C35H68N8 and a molecular weight of 600.99 g/mol. Its IUPAC name is 2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID3446490
Molecular FormulaC35H68N8
Molecular Weight600.99 g/mol
Exact Mass600.56
IUPAC Name2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CC(C)(C)Nc1ncnc(N(CCCCCCNC2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C35H68N8/c1-30(2,3)24-35(12,13)40-28-37-25-38-29(39-28)43(27-22-33(8,9)42-34(10,11)23-27)19-17-15-14-16-18-36-26-20-31(4,5)41-32(6,7)21-26/h25-27,36,41-42H,14-24H2,1-13H3,(H,37,38,39,40)
InChIKeyLZVMGBSAHNBBOW-UHFFFAOYSA-N
XLogP7.07
TPSA90.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.99
LogP ≤ 57.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-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 2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 3446490) is 2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)(C)CC(C)(C)Nc1ncnc(N(CCCCCCNC2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LZVMGBSAHNBBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H68N8/c1-30(2,3)24-35(12,13)40-28-37-25-38-29(39-28)43(27-22-33(8,9)42-34(10,11)23-27)19-17-15-14-16-18-36-26-20-31(4,5)41-32(6,7)21-26/h25-27,36,41-42H,14-24H2,1-13H3,(H,37,38,39,40).
What are the key properties of 2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 600.99 g/mol, XLogP of 7.07, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3446490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).