2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine

C19H33N3 — CID 144774157

IUPAC2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine
SMILESCCCCC(CC)c1nc(C)nc(C2CCCCCCC2)n1
InChIInChI=1S/C19H33N3/c1-4-6-12-16(5-2)18-20-15(3)21-19(22-18)17-13-10-8-7-9-11-14-17/h16-17H,4-14H2,1-3H3
InChIKeyZORITQLBUMLOGW-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.69
Rot. Bonds6

About 2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine

2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine (PubChem CID 144774157) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine
PubChem CID144774157
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine
SMILESCCCCC(CC)c1nc(C)nc(C2CCCCCCC2)n1
InChIInChI=1S/C19H33N3/c1-4-6-12-16(5-2)18-20-15(3)21-19(22-18)17-13-10-8-7-9-11-14-17/h16-17H,4-14H2,1-3H3
InChIKeyZORITQLBUMLOGW-UHFFFAOYSA-N
XLogP5.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine?
The IUPAC name of 2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine (CID 144774157) is 2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine is CCCCC(CC)c1nc(C)nc(C2CCCCCCC2)n1.
What is the InChIKey of 2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine?
The InChIKey is ZORITQLBUMLOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-4-6-12-16(5-2)18-20-15(3)21-19(22-18)17-13-10-8-7-9-11-14-17/h16-17H,4-14H2,1-3H3.
What are the key properties of 2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine?
2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine has a molecular weight of 303.49 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-4-heptan-3-yl-6-methyl-1,3,5-triazine is sourced from PubChem (CID 144774157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).