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

C30H56N8 — CID 18715894

IUPAC4-N-cyclohexyl-6-methyl-2-N-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC2CCCCC2)nc(N(CN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C30H56N8/c1-21-31-25(33-22-14-12-11-13-15-22)34-26(32-21)38(24-18-29(6,7)36-30(8,9)19-24)20-37(10)23-16-27(2,3)35-28(4,5)17-23/h22-24,35-36H,11-20H2,1-10H3,(H,31,32,33,34)
InChIKeyKQRZQHQHRKAJPF-UHFFFAOYSA-N
MW528.83 g/mol
LogP5.24
Rot. Bonds7

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

4-N-cyclohexyl-6-methyl-2-N-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 18715894) has the molecular formula C30H56N8 and a molecular weight of 528.83 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-methyl-2-N-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-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-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID18715894
Molecular FormulaC30H56N8
Molecular Weight528.83 g/mol
Exact Mass528.46
IUPAC Name4-N-cyclohexyl-6-methyl-2-N-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC2CCCCC2)nc(N(CN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C30H56N8/c1-21-31-25(33-22-14-12-11-13-15-22)34-26(32-21)38(24-18-29(6,7)36-30(8,9)19-24)20-37(10)23-16-27(2,3)35-28(4,5)17-23/h22-24,35-36H,11-20H2,1-10H3,(H,31,32,33,34)
InChIKeyKQRZQHQHRKAJPF-UHFFFAOYSA-N
XLogP5.24
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.83
LogP ≤ 55.24
H-Bond Donors ≤ 53
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-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-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-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 18715894) is 4-N-cyclohexyl-6-methyl-2-N-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-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-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-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-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is Cc1nc(NC2CCCCC2)nc(N(CN(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-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KQRZQHQHRKAJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N8/c1-21-31-25(33-22-14-12-11-13-15-22)34-26(32-21)38(24-18-29(6,7)36-30(8,9)19-24)20-37(10)23-16-27(2,3)35-28(4,5)17-23/h22-24,35-36H,11-20H2,1-10H3,(H,31,32,33,34).
What are the key properties of 4-N-cyclohexyl-6-methyl-2-N-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
4-N-cyclohexyl-6-methyl-2-N-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 528.83 g/mol, XLogP of 5.24, 7 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-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18715894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).