N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine

C31H58N8O — CID 66803587

IUPACN-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine
SMILESCCC(CC)(NC1CC(C)(C)NC(C)(C)C1)c1nc(N2CCOCC2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C31H58N8O/c1-12-31(13-2,35-22-18-27(3,4)36-28(5,6)19-22)24-32-25(34-26(33-24)39-14-16-40-17-15-39)38(11)23-20-29(7,8)37-30(9,10)21-23/h22-23,35-37H,12-21H2,1-11H3
InChIKeyHWOLPZCINKUXFH-UHFFFAOYSA-N
MW558.86 g/mol
LogP4.37
Rot. Bonds8

About N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine

N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine (PubChem CID 66803587) has the molecular formula C31H58N8O and a molecular weight of 558.86 g/mol. Its IUPAC name is N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine
PubChem CID66803587
Molecular FormulaC31H58N8O
Molecular Weight558.86 g/mol
Exact Mass558.47
IUPAC NameN-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine
SMILESCCC(CC)(NC1CC(C)(C)NC(C)(C)C1)c1nc(N2CCOCC2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C31H58N8O/c1-12-31(13-2,35-22-18-27(3,4)36-28(5,6)19-22)24-32-25(34-26(33-24)39-14-16-40-17-15-39)38(11)23-20-29(7,8)37-30(9,10)21-23/h22-23,35-37H,12-21H2,1-11H3
InChIKeyHWOLPZCINKUXFH-UHFFFAOYSA-N
XLogP4.37
TPSA90.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.86
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine (CID 66803587) is N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine is CCC(CC)(NC1CC(C)(C)NC(C)(C)C1)c1nc(N2CCOCC2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine?
The InChIKey is HWOLPZCINKUXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58N8O/c1-12-31(13-2,35-22-18-27(3,4)36-28(5,6)19-22)24-32-25(34-26(33-24)39-14-16-40-17-15-39)38(11)23-20-29(7,8)37-30(9,10)21-23/h22-23,35-37H,12-21H2,1-11H3.
What are the key properties of N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine?
N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine has a molecular weight of 558.86 g/mol, XLogP of 4.37, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 66803587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).