3-methyl-6-octyl-3,4-dihydropyridine

C14H25N — CID 71148391

IUPAC3-methyl-6-octyl-3,4-dihydropyridine
SMILESCCCCCCCCC1=CCC(C)C=N1
InChIInChI=1S/C14H25N/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-15-14/h11-13H,3-10H2,1-2H3
InChIKeyJGGPOWKHCHWZRT-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.73
Rot. Bonds7

About 3-methyl-6-octyl-3,4-dihydropyridine

3-methyl-6-octyl-3,4-dihydropyridine (PubChem CID 71148391) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-methyl-6-octyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3-methyl-6-octyl-3,4-dihydropyridine
PubChem CID71148391
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-methyl-6-octyl-3,4-dihydropyridine
SMILESCCCCCCCCC1=CCC(C)C=N1
InChIInChI=1S/C14H25N/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-15-14/h11-13H,3-10H2,1-2H3
InChIKeyJGGPOWKHCHWZRT-UHFFFAOYSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-6-octyl-3,4-dihydropyridine 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 3-methyl-6-octyl-3,4-dihydropyridine?
The IUPAC name of 3-methyl-6-octyl-3,4-dihydropyridine (CID 71148391) is 3-methyl-6-octyl-3,4-dihydropyridine.
What is the SMILES notation for 3-methyl-6-octyl-3,4-dihydropyridine?
The canonical SMILES for 3-methyl-6-octyl-3,4-dihydropyridine is CCCCCCCCC1=CCC(C)C=N1.
What is the InChIKey of 3-methyl-6-octyl-3,4-dihydropyridine?
The InChIKey is JGGPOWKHCHWZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-15-14/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-methyl-6-octyl-3,4-dihydropyridine?
3-methyl-6-octyl-3,4-dihydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-octyl-3,4-dihydropyridine is sourced from PubChem (CID 71148391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).