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

C30H56N8O — CID 18716472

IUPACN-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine
SMILESCc1nc(N2CCOCC2)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/C30H56N8O/c1-22-31-25(37-13-15-39-16-14-37)33-26(32-22)38(24-19-29(6,7)36(12)30(8,9)20-24)21-34(10)23-17-27(2,3)35(11)28(4,5)18-23/h23-24H,13-21H2,1-12H3
InChIKeyAJKQEJCKUXPXTK-UHFFFAOYSA-N
MW544.83 g/mol
LogP4.02
Rot. Bonds6

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

N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine (PubChem CID 18716472) has the molecular formula C30H56N8O and a molecular weight of 544.83 g/mol. Its IUPAC name is N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine.

Molecular Properties

Compound NameN-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine
PubChem CID18716472
Molecular FormulaC30H56N8O
Molecular Weight544.83 g/mol
Exact Mass544.46
IUPAC NameN-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine
SMILESCc1nc(N2CCOCC2)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/C30H56N8O/c1-22-31-25(37-13-15-39-16-14-37)33-26(32-22)38(24-19-29(6,7)36(12)30(8,9)20-24)21-34(10)23-17-27(2,3)35(11)28(4,5)18-23/h23-24H,13-21H2,1-12H3
InChIKeyAJKQEJCKUXPXTK-UHFFFAOYSA-N
XLogP4.02
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.83
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-morpholin-4-yl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 6611169
4-Morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile
CID 10473538
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
N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine
CID 18716473
N,N'-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine
CID 18716474
4-[4-Morpholin-4-yl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 19991783
1-[2,2,6,6-Tetramethyl-4-[methyl-[6-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)amino]hexyl]amino]piperidin-1-yl]prop-2-en-1-one
CID 20576541
N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 20609194
N'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
CID 20732676
N-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
CID 20732685
4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine
CID 21305852
4-methyl-6-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[7-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine
CID 21305853

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(1,2,2,6,6-pentamethylpiperidin-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(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine (CID 18716472) is N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-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(1,2,2,6,6-pentamethylpiperidin-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(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine is Cc1nc(N2CCOCC2)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 N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine?
The InChIKey is AJKQEJCKUXPXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N8O/c1-22-31-25(37-13-15-39-16-14-37)33-26(32-22)38(24-19-29(6,7)36(12)30(8,9)20-24)21-34(10)23-17-27(2,3)35(11)28(4,5)18-23/h23-24H,13-21H2,1-12H3.
What are the key properties of N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine?
N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine has a molecular weight of 544.83 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 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(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine is sourced from PubChem (CID 18716472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).