6-ethyl-2,3,4,5-tetrahydropyridine

C7H13N — CID 3014008

IUPAC6-ethyl-2,3,4,5-tetrahydropyridine
SMILESCCC1=NCCCC1
InChIInChI=1S/C7H13N/c1-2-7-5-3-4-6-8-7/h2-6H2,1H3
InChIKeyWUMTZFPMWIODSM-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.02
Rot. Bonds1

About 6-ethyl-2,3,4,5-tetrahydropyridine

6-ethyl-2,3,4,5-tetrahydropyridine (PubChem CID 3014008) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 6-ethyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-ethyl-2,3,4,5-tetrahydropyridine
PubChem CID3014008
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name6-ethyl-2,3,4,5-tetrahydropyridine
SMILESCCC1=NCCCC1
InChIInChI=1S/C7H13N/c1-2-7-5-3-4-6-8-7/h2-6H2,1H3
InChIKeyWUMTZFPMWIODSM-UHFFFAOYSA-N
XLogP2.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-ethyl-2,3,4,5-tetrahydropyridine (CID 3014008) is 6-ethyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-ethyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-ethyl-2,3,4,5-tetrahydropyridine is CCC1=NCCCC1.
What is the InChIKey of 6-ethyl-2,3,4,5-tetrahydropyridine?
The InChIKey is WUMTZFPMWIODSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-7-5-3-4-6-8-7/h2-6H2,1H3.
What are the key properties of 6-ethyl-2,3,4,5-tetrahydropyridine?
6-ethyl-2,3,4,5-tetrahydropyridine has a molecular weight of 111.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 3014008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).