3-propyl-1,2,3,4-tetrahydropyridine

C8H15N — CID 58247608

IUPAC3-propyl-1,2,3,4-tetrahydropyridine
SMILESCCCC1CC=CNC1
InChIInChI=1S/C8H15N/c1-2-4-8-5-3-6-9-7-8/h3,6,8-9H,2,4-5,7H2,1H3
InChIKeyLVROMTKRUUIXJR-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.91
Rot. Bonds2

About 3-propyl-1,2,3,4-tetrahydropyridine

3-propyl-1,2,3,4-tetrahydropyridine (PubChem CID 58247608) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-propyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name3-propyl-1,2,3,4-tetrahydropyridine
PubChem CID58247608
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-propyl-1,2,3,4-tetrahydropyridine
SMILESCCCC1CC=CNC1
InChIInChI=1S/C8H15N/c1-2-4-8-5-3-6-9-7-8/h3,6,8-9H,2,4-5,7H2,1H3
InChIKeyLVROMTKRUUIXJR-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 3-propyl-1,2,3,4-tetrahydropyridine (CID 58247608) is 3-propyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 3-propyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 3-propyl-1,2,3,4-tetrahydropyridine is CCCC1CC=CNC1.
What is the InChIKey of 3-propyl-1,2,3,4-tetrahydropyridine?
The InChIKey is LVROMTKRUUIXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-4-8-5-3-6-9-7-8/h3,6,8-9H,2,4-5,7H2,1H3.
What are the key properties of 3-propyl-1,2,3,4-tetrahydropyridine?
3-propyl-1,2,3,4-tetrahydropyridine has a molecular weight of 125.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 58247608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).