4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine

C32H60N8 — CID 18716470

IUPAC4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC2CCCCC2)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/C32H60N8/c1-23-33-27(35-24-16-14-13-15-17-24)36-28(34-23)40(26-20-31(6,7)39(12)32(8,9)21-26)22-37(10)25-18-29(2,3)38(11)30(4,5)19-25/h24-26H,13-22H2,1-12H3,(H,33,34,35,36)
InChIKeyWOBHTLMIUUCNJT-UHFFFAOYSA-N
MW556.89 g/mol
LogP5.92
Rot. Bonds7

About 4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine

4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine (PubChem CID 18716470) has the molecular formula C32H60N8 and a molecular weight of 556.89 g/mol. Its IUPAC name is 4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine
PubChem CID18716470
Molecular FormulaC32H60N8
Molecular Weight556.89 g/mol
Exact Mass556.49
IUPAC Name4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC2CCCCC2)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/C32H60N8/c1-23-33-27(35-24-16-14-13-15-17-24)36-28(34-23)40(26-20-31(6,7)39(12)32(8,9)21-26)22-37(10)25-18-29(2,3)38(11)30(4,5)19-25/h24-26H,13-22H2,1-12H3,(H,33,34,35,36)
InChIKeyWOBHTLMIUUCNJT-UHFFFAOYSA-N
XLogP5.92
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.89
LogP ≤ 55.92
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 4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine (CID 18716470) is 4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine is Cc1nc(NC2CCCCC2)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 4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine?
The InChIKey is WOBHTLMIUUCNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N8/c1-23-33-27(35-24-16-14-13-15-17-24)36-28(34-23)40(26-20-31(6,7)39(12)32(8,9)21-26)22-37(10)25-18-29(2,3)38(11)30(4,5)19-25/h24-26H,13-22H2,1-12H3,(H,33,34,35,36).
What are the key properties of 4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine?
4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine has a molecular weight of 556.89 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-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)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18716470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).