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

C6H11N — CID 5250455

IUPAC5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCCNC1
InChIInChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h3,7H,2,4-5H2,1H3
InChIKeyZKJZYUKADBYJCC-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.93
Rot. Bonds

About 5-methyl-1,2,3,6-tetrahydropyridine

5-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 5250455) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 5-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-methyl-1,2,3,6-tetrahydropyridine
PubChem CID5250455
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCCNC1
InChIInChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h3,7H,2,4-5H2,1H3
InChIKeyZKJZYUKADBYJCC-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-methyl-1,2,3,6-tetrahydropyridine (CID 5250455) is 5-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-methyl-1,2,3,6-tetrahydropyridine is CC1=CCCNC1.
What is the InChIKey of 5-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is ZKJZYUKADBYJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h3,7H,2,4-5H2,1H3.
What are the key properties of 5-methyl-1,2,3,6-tetrahydropyridine?
5-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 5-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 5250455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).