4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine

C22H41N5O2 — CID 54323821

IUPAC4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCCCCCCCC2CC(C)(C)NC(C)(C)C2)nc(OC)n1
InChIInChI=1S/C22H41N5O2/c1-21(2)15-17(16-22(3,4)27-21)13-11-9-7-8-10-12-14-23-18-24-19(28-5)26-20(25-18)29-6/h17,27H,7-16H2,1-6H3,(H,23,24,25,26)
InChIKeySTMZLMYZWCWJEZ-UHFFFAOYSA-N
MW407.60 g/mol
LogP4.59
Rot. Bonds12

About 4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine

4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine (PubChem CID 54323821) has the molecular formula C22H41N5O2 and a molecular weight of 407.60 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine
PubChem CID54323821
Molecular FormulaC22H41N5O2
Molecular Weight407.60 g/mol
Exact Mass407.33
IUPAC Name4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCCCCCCCC2CC(C)(C)NC(C)(C)C2)nc(OC)n1
InChIInChI=1S/C22H41N5O2/c1-21(2)15-17(16-22(3,4)27-21)13-11-9-7-8-10-12-14-23-18-24-19(28-5)26-20(25-18)29-6/h17,27H,7-16H2,1-6H3,(H,23,24,25,26)
InChIKeySTMZLMYZWCWJEZ-UHFFFAOYSA-N
XLogP4.59
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine (CID 54323821) is 4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine is COc1nc(NCCCCCCCCC2CC(C)(C)NC(C)(C)C2)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine?
The InChIKey is STMZLMYZWCWJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N5O2/c1-21(2)15-17(16-22(3,4)27-21)13-11-9-7-8-10-12-14-23-18-24-19(28-5)26-20(25-18)29-6/h17,27H,7-16H2,1-6H3,(H,23,24,25,26).
What are the key properties of 4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine has a molecular weight of 407.60 g/mol, XLogP of 4.59, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[8-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 54323821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).