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

C34H66N8 — CID 18716448

IUPAC6-methyl-2-N-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-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(CN(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1
InChIInChI=1S/C34H66N8/c1-24-35-27(38-30(5,6)22-29(2,3)4)37-28(36-24)42(26-20-33(11,12)41(17)34(13,14)21-26)23-39(15)25-18-31(7,8)40(16)32(9,10)19-25/h25-26H,18-23H2,1-17H3,(H,35,36,37,38)
InChIKeyNKANXNYCXMSLKX-UHFFFAOYSA-N
MW586.96 g/mol
LogP6.81
Rot. Bonds8

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

6-methyl-2-N-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 18716448) has the molecular formula C34H66N8 and a molecular weight of 586.96 g/mol. Its IUPAC name is 6-methyl-2-N-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID18716448
Molecular FormulaC34H66N8
Molecular Weight586.96 g/mol
Exact Mass586.54
IUPAC Name6-methyl-2-N-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-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(CN(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1
InChIInChI=1S/C34H66N8/c1-24-35-27(38-30(5,6)22-29(2,3)4)37-28(36-24)42(26-20-33(11,12)41(17)34(13,14)21-26)23-39(15)25-18-31(7,8)40(16)32(9,10)19-25/h25-26H,18-23H2,1-17H3,(H,35,36,37,38)
InChIKeyNKANXNYCXMSLKX-UHFFFAOYSA-N
XLogP6.81
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.96
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-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-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 18716448) is 6-methyl-2-N-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-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-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-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-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-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(CN(C)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-methyl-2-N-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NKANXNYCXMSLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66N8/c1-24-35-27(38-30(5,6)22-29(2,3)4)37-28(36-24)42(26-20-33(11,12)41(17)34(13,14)21-26)23-39(15)25-18-31(7,8)40(16)32(9,10)19-25/h25-26H,18-23H2,1-17H3,(H,35,36,37,38).
What are the key properties of 6-methyl-2-N-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 586.96 g/mol, XLogP of 6.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18716448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).