N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine

C28H52N8O — CID 18715896

IUPACN-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
SMILESCc1nc(N2CCOCC2)nc(N(CN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C28H52N8O/c1-20-29-23(35-11-13-37-14-12-35)31-24(30-20)36(22-17-27(6,7)33-28(8,9)18-22)19-34(10)21-15-25(2,3)32-26(4,5)16-21/h21-22,32-33H,11-19H2,1-10H3
InChIKeyHQFXFWROBZIGLZ-UHFFFAOYSA-N
MW516.78 g/mol
LogP3.33
Rot. Bonds6

About N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine

N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine (PubChem CID 18715896) has the molecular formula C28H52N8O and a molecular weight of 516.78 g/mol. Its IUPAC name is N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine.

Molecular Properties

Compound NameN-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
PubChem CID18715896
Molecular FormulaC28H52N8O
Molecular Weight516.78 g/mol
Exact Mass516.43
IUPAC NameN-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
SMILESCc1nc(N2CCOCC2)nc(N(CN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C28H52N8O/c1-20-29-23(35-11-13-37-14-12-35)31-24(30-20)36(22-17-27(6,7)33-28(8,9)18-22)19-34(10)21-15-25(2,3)32-26(4,5)16-21/h21-22,32-33H,11-19H2,1-10H3
InChIKeyHQFXFWROBZIGLZ-UHFFFAOYSA-N
XLogP3.33
TPSA81.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.78
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The IUPAC name of N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine (CID 18715896) is N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine.
What is the SMILES notation for N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The canonical SMILES for N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine is Cc1nc(N2CCOCC2)nc(N(CN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The InChIKey is HQFXFWROBZIGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N8O/c1-20-29-23(35-11-13-37-14-12-35)31-24(30-20)36(22-17-27(6,7)33-28(8,9)18-22)19-34(10)21-15-25(2,3)32-26(4,5)16-21/h21-22,32-33H,11-19H2,1-10H3.
What are the key properties of N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine has a molecular weight of 516.78 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine is sourced from PubChem (CID 18715896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).