4-methyl-1,2,3,6-tetrahydropyridine

C6H11N — CID 5231576

IUPAC4-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCNCC1
InChIInChI=1S/C6H11N/c1-6-2-4-7-5-3-6/h2,7H,3-5H2,1H3
InChIKeyIZGVOANXLNJMDM-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.93
Rot. Bonds

About 4-methyl-1,2,3,6-tetrahydropyridine

4-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 5231576) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 4-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-1,2,3,6-tetrahydropyridine
PubChem CID5231576
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name4-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCNCC1
InChIInChI=1S/C6H11N/c1-6-2-4-7-5-3-6/h2,7H,3-5H2,1H3
InChIKeyIZGVOANXLNJMDM-UHFFFAOYSA-N
XLogP0.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-1,2,3,6-tetrahydropyridine 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 4-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-methyl-1,2,3,6-tetrahydropyridine (CID 5231576) is 4-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-methyl-1,2,3,6-tetrahydropyridine is CC1=CCNCC1.
What is the InChIKey of 4-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is IZGVOANXLNJMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6-2-4-7-5-3-6/h2,7H,3-5H2,1H3.
What are the key properties of 4-methyl-1,2,3,6-tetrahydropyridine?
4-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 97.16 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 5231576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).