Basic information
- CAS
6972-40-3- Standard SMILES
CCN1CC=CCC1- InChIKey
RQCAAFRALKAXRR-UHFFFAOYSA-N- Molecular formula
- C7H13N
- Average molar mass
- 111.18 g/mol
- Monoisotopic mass
- 111.10479942
Names & identifiers
- Preferred name
- 1-Ethyl-1,2,3,6-tetrahydropyridine
- IUPAC
- 1-ethyl-3,6-dihydro-2H-pyridine
- English name
- 1-Ethyl-1,2,5,6-tetrahydropyridine
- Molecular formula
- C7H13N
- Molecular weight
- 111.18
Names & synonyms
1-Ethyl-1,2,3,6-tetrahydropyridine6972-40-31-ethyl-3,6-dihydro-2H-pyridineNSC61981Pyridine, 1-ethyl-1,2,3,6-tetrahydro-N-ETHYL-1,2,5,6-TETRAHYDROPYRIDINECHEMBL98544SCHEMBL124845SCHEMBL771396SCHEMBL998857N-Ethyl-.delta.3-piperideineN-Ethyl-.DELTA.3-piperidine
Show more names
1-Ethyl-1,2,5,6-tetrahydropyridine
SCHEMBL6226581SCHEMBL9479104SCHEMBL10698359DTXSID20289572RQCAAFRALKAXRR-UHFFFAOYSA-NNSC-61981AKOS0062748061-Ethyl-1,2,3,6-tetrahydropyridine #
Database identifiers
- CAS
6972-40-3- PubChem CID
- 247451
- DTXSID
DTXSID20289572- ChEMBL
CHEMBL98544- Nikkaji
- J110.404G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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