6-propyl-2,3,4,5-tetrahydropyridin-1-ium

C8H16N+ — CID 25203721

IUPAC6-propyl-2,3,4,5-tetrahydropyridin-1-ium
SMILESCCCC1=[NH+]CCCC1
InChIInChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2-7H2,1H3/p+1
InChIKeyPQSOVRNZJIENNW-UHFFFAOYSA-O
MW126.22 g/mol
LogP0.49
Rot. Bonds2

About 6-propyl-2,3,4,5-tetrahydropyridin-1-ium

6-propyl-2,3,4,5-tetrahydropyridin-1-ium (PubChem CID 25203721) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is 6-propyl-2,3,4,5-tetrahydropyridin-1-ium.

Molecular Properties

Compound Name6-propyl-2,3,4,5-tetrahydropyridin-1-ium
PubChem CID25203721
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Name6-propyl-2,3,4,5-tetrahydropyridin-1-ium
SMILESCCCC1=[NH+]CCCC1
InChIInChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2-7H2,1H3/p+1
InChIKeyPQSOVRNZJIENNW-UHFFFAOYSA-O
XLogP0.49
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-2,3,4,5-tetrahydropyridin-1-ium?
The IUPAC name of 6-propyl-2,3,4,5-tetrahydropyridin-1-ium (CID 25203721) is 6-propyl-2,3,4,5-tetrahydropyridin-1-ium.
What is the SMILES notation for 6-propyl-2,3,4,5-tetrahydropyridin-1-ium?
The canonical SMILES for 6-propyl-2,3,4,5-tetrahydropyridin-1-ium is CCCC1=[NH+]CCCC1.
What is the InChIKey of 6-propyl-2,3,4,5-tetrahydropyridin-1-ium?
The InChIKey is PQSOVRNZJIENNW-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2-7H2,1H3/p+1.
What are the key properties of 6-propyl-2,3,4,5-tetrahydropyridin-1-ium?
6-propyl-2,3,4,5-tetrahydropyridin-1-ium has a molecular weight of 126.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2,3,4,5-tetrahydropyridin-1-ium is sourced from PubChem (CID 25203721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).