N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine

C38H71N7O — CID 134388824

IUPACN-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N2CCOCC2)nc(N(CCCCCCC(C(C)C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C38H71N7O/c1-27(2)31(29-23-35(5,6)42-36(7,8)24-29)17-15-13-14-16-18-45(30-25-37(9,10)43-38(11,12)26-30)34-40-32(28(3)4)39-33(41-34)44-19-21-46-22-20-44/h27-31,42-43H,13-26H2,1-12H3
InChIKeyVSEDGNXWNTWKMN-UHFFFAOYSA-N
MW642.03 g/mol
LogP7.73
Rot. Bonds13

About N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine

N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine (PubChem CID 134388824) has the molecular formula C38H71N7O and a molecular weight of 642.03 g/mol. Its IUPAC name is N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
PubChem CID134388824
Molecular FormulaC38H71N7O
Molecular Weight642.03 g/mol
Exact Mass641.57
IUPAC NameN-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N2CCOCC2)nc(N(CCCCCCC(C(C)C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C38H71N7O/c1-27(2)31(29-23-35(5,6)42-36(7,8)24-29)17-15-13-14-16-18-45(30-25-37(9,10)43-38(11,12)26-30)34-40-32(28(3)4)39-33(41-34)44-19-21-46-22-20-44/h27-31,42-43H,13-26H2,1-12H3
InChIKeyVSEDGNXWNTWKMN-UHFFFAOYSA-N
XLogP7.73
TPSA78.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.03
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine (CID 134388824) is N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine is CC(C)c1nc(N2CCOCC2)nc(N(CCCCCCC(C(C)C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is VSEDGNXWNTWKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H71N7O/c1-27(2)31(29-23-35(5,6)42-36(7,8)24-29)17-15-13-14-16-18-45(30-25-37(9,10)43-38(11,12)26-30)34-40-32(28(3)4)39-33(41-34)44-19-21-46-22-20-44/h27-31,42-43H,13-26H2,1-12H3.
What are the key properties of N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 642.03 g/mol, XLogP of 7.73, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 134388824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).