6-tert-butyl-2,5-dihydropyridine

C9H15N — CID 59463919

IUPAC6-tert-butyl-2,5-dihydropyridine
SMILESCC(C)(C)C1=NCC=CC1
InChIInChI=1S/C9H15N/c1-9(2,3)8-6-4-5-7-10-8/h4-5H,6-7H2,1-3H3
InChIKeyGHPSIHVAEAJXGS-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds

About 6-tert-butyl-2,5-dihydropyridine

6-tert-butyl-2,5-dihydropyridine (PubChem CID 59463919) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 6-tert-butyl-2,5-dihydropyridine.

Molecular Properties

Compound Name6-tert-butyl-2,5-dihydropyridine
PubChem CID59463919
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name6-tert-butyl-2,5-dihydropyridine
SMILESCC(C)(C)C1=NCC=CC1
InChIInChI=1S/C9H15N/c1-9(2,3)8-6-4-5-7-10-8/h4-5H,6-7H2,1-3H3
InChIKeyGHPSIHVAEAJXGS-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-2,5-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 6-tert-butyl-2,5-dihydropyridine?
The IUPAC name of 6-tert-butyl-2,5-dihydropyridine (CID 59463919) is 6-tert-butyl-2,5-dihydropyridine.
What is the SMILES notation for 6-tert-butyl-2,5-dihydropyridine?
The canonical SMILES for 6-tert-butyl-2,5-dihydropyridine is CC(C)(C)C1=NCC=CC1.
What is the InChIKey of 6-tert-butyl-2,5-dihydropyridine?
The InChIKey is GHPSIHVAEAJXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-9(2,3)8-6-4-5-7-10-8/h4-5H,6-7H2,1-3H3.
What are the key properties of 6-tert-butyl-2,5-dihydropyridine?
6-tert-butyl-2,5-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,5-dihydropyridine is sourced from PubChem (CID 59463919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).