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

C22H41N5O2 — CID 21293828

IUPAC4,6-dimethoxy-N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
SMILESCCCCCCCCN(c1nc(OC)nc(OC)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H41N5O2/c1-8-9-10-11-12-13-14-27(17-15-21(2,3)26-22(4,5)16-17)18-23-19(28-6)25-20(24-18)29-7/h17,26H,8-16H2,1-7H3
InChIKeyQUWGUOJESXFUIW-UHFFFAOYSA-N
MW407.60 g/mol
LogP4.36
Rot. Bonds11

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

4,6-dimethoxy-N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine (PubChem CID 21293828) has the molecular formula C22H41N5O2 and a molecular weight of 407.60 g/mol. Its IUPAC name is 4,6-dimethoxy-N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
PubChem CID21293828
Molecular FormulaC22H41N5O2
Molecular Weight407.60 g/mol
Exact Mass407.33
IUPAC Name4,6-dimethoxy-N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
SMILESCCCCCCCCN(c1nc(OC)nc(OC)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H41N5O2/c1-8-9-10-11-12-13-14-27(17-15-21(2,3)26-22(4,5)16-17)18-23-19(28-6)25-20(24-18)29-7/h17,26H,8-16H2,1-7H3
InChIKeyQUWGUOJESXFUIW-UHFFFAOYSA-N
XLogP4.36
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 54.36
H-Bond Donors ≤ 51
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-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine (CID 21293828) is 4,6-dimethoxy-N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine is CCCCCCCCN(c1nc(OC)nc(OC)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4,6-dimethoxy-N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is QUWGUOJESXFUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N5O2/c1-8-9-10-11-12-13-14-27(17-15-21(2,3)26-22(4,5)16-17)18-23-19(28-6)25-20(24-18)29-7/h17,26H,8-16H2,1-7H3.
What are the key properties of 4,6-dimethoxy-N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 407.60 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 21293828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).