(6S)-6-ethyl-1,2,3,6-tetrahydropyridine

C7H13N — CID 67570556

IUPAC(6S)-6-ethyl-1,2,3,6-tetrahydropyridine
SMILESCC[C@H]1C=CCCN1
InChIInChI=1S/C7H13N/c1-2-7-5-3-4-6-8-7/h3,5,7-8H,2,4,6H2,1H3/t7-/m0/s1
InChIKeyDASXUWZYYCJVIH-ZETCQYMHSA-N
MW111.19 g/mol
LogP1.31
Rot. Bonds1

About (6S)-6-ethyl-1,2,3,6-tetrahydropyridine

(6S)-6-ethyl-1,2,3,6-tetrahydropyridine (PubChem CID 67570556) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (6S)-6-ethyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name(6S)-6-ethyl-1,2,3,6-tetrahydropyridine
PubChem CID67570556
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(6S)-6-ethyl-1,2,3,6-tetrahydropyridine
SMILESCC[C@H]1C=CCCN1
InChIInChI=1S/C7H13N/c1-2-7-5-3-4-6-8-7/h3,5,7-8H,2,4,6H2,1H3/t7-/m0/s1
InChIKeyDASXUWZYYCJVIH-ZETCQYMHSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.31
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 (6S)-6-ethyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of (6S)-6-ethyl-1,2,3,6-tetrahydropyridine (CID 67570556) is (6S)-6-ethyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for (6S)-6-ethyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for (6S)-6-ethyl-1,2,3,6-tetrahydropyridine is CC[C@H]1C=CCCN1.
What is the InChIKey of (6S)-6-ethyl-1,2,3,6-tetrahydropyridine?
The InChIKey is DASXUWZYYCJVIH-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13N/c1-2-7-5-3-4-6-8-7/h3,5,7-8H,2,4,6H2,1H3/t7-/m0/s1.
What are the key properties of (6S)-6-ethyl-1,2,3,6-tetrahydropyridine?
(6S)-6-ethyl-1,2,3,6-tetrahydropyridine has a molecular weight of 111.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-ethyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 67570556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).