5-methyl-2,3,4,5-tetrahydropyridine

C6H11N — CID 15649176

IUPAC5-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1C=NCCC1
InChIInChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h5-6H,2-4H2,1H3
InChIKeyVLBFLYVZVWBHRH-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.49
Rot. Bonds

About 5-methyl-2,3,4,5-tetrahydropyridine

5-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 15649176) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 5-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name5-methyl-2,3,4,5-tetrahydropyridine
PubChem CID15649176
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name5-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1C=NCCC1
InChIInChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h5-6H,2-4H2,1H3
InChIKeyVLBFLYVZVWBHRH-UHFFFAOYSA-N
XLogP1.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyridine, 2,3,4,5-tetrahydro-3-methyl-
CID 86366
1,5-Pentanediamine, 2-methyl-N,N'-bis(2-methylpropylidene)-
CID 44149346
5-Dimethyldidehydropiperidine
CID 123320583
(5R)-5-methyl-2,3,4,5-tetrahydropyridine
CID 3086217
2-fluoro-3-methyl-3,4,5,6-tetrahydro-2H-azepine
CID 57198539
2-Fluoro-4-methyl-2,3,4,5-tetrahydropyridine
CID 70256119
3-Fluoro-5-methyl-2,3,4,5-tetrahydropyridine
CID 89642584
5-(Trifluoromethyl)-2,3,4,5-tetrahydropyridine
CID 90702622
6-Fluoro-5-methyl-2,3,4,5-tetrahydropyridine
CID 123286560
2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine
CID 150025874
5-Methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
CID 154969239
5-Fluoro-3-methyl-2,3,4,5-tetrahydropyridine
CID 166830732

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 5-methyl-2,3,4,5-tetrahydropyridine (CID 15649176) is 5-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 5-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 5-methyl-2,3,4,5-tetrahydropyridine is CC1C=NCCC1.
What is the InChIKey of 5-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is VLBFLYVZVWBHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h5-6H,2-4H2,1H3.
What are the key properties of 5-methyl-2,3,4,5-tetrahydropyridine?
5-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 97.16 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 15649176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).