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

C22H41N5O2 — CID 70418013

IUPAC4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine
SMILESCCCCCCCC(Nc1nc(OC)nc(OC)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H41N5O2/c1-8-9-10-11-12-13-17(16-14-21(2,3)27-22(4,5)15-16)23-18-24-19(28-6)26-20(25-18)29-7/h16-17,27H,8-15H2,1-7H3,(H,23,24,25,26)
InChIKeyQVLBSZNGGWVSHG-UHFFFAOYSA-N
MW407.60 g/mol
LogP4.59
Rot. Bonds11

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

4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine (PubChem CID 70418013) has the molecular formula C22H41N5O2 and a molecular weight of 407.60 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine
PubChem CID70418013
Molecular FormulaC22H41N5O2
Molecular Weight407.60 g/mol
Exact Mass407.33
IUPAC Name4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine
SMILESCCCCCCCC(Nc1nc(OC)nc(OC)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H41N5O2/c1-8-9-10-11-12-13-17(16-14-21(2,3)27-22(4,5)15-16)23-18-24-19(28-6)26-20(25-18)29-7/h16-17,27H,8-15H2,1-7H3,(H,23,24,25,26)
InChIKeyQVLBSZNGGWVSHG-UHFFFAOYSA-N
XLogP4.59
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
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-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine (CID 70418013) is 4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine is CCCCCCCC(Nc1nc(OC)nc(OC)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine?
The InChIKey is QVLBSZNGGWVSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N5O2/c1-8-9-10-11-12-13-17(16-14-21(2,3)27-22(4,5)15-16)23-18-24-19(28-6)26-20(25-18)29-7/h16-17,27H,8-15H2,1-7H3,(H,23,24,25,26).
What are the key properties of 4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-[1-(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, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 70418013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).