2-propyl-2,3,4,5-tetrahydropyridine

C8H15N — CID 58247728

IUPAC2-propyl-2,3,4,5-tetrahydropyridine
SMILESCCCC1CCCC=N1
InChIInChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h7-8H,2-6H2,1H3
InChIKeyDWODULACGHMTDY-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.41
Rot. Bonds2

About 2-propyl-2,3,4,5-tetrahydropyridine

2-propyl-2,3,4,5-tetrahydropyridine (PubChem CID 58247728) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-propyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-propyl-2,3,4,5-tetrahydropyridine
PubChem CID58247728
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-propyl-2,3,4,5-tetrahydropyridine
SMILESCCCC1CCCC=N1
InChIInChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h7-8H,2-6H2,1H3
InChIKeyDWODULACGHMTDY-UHFFFAOYSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-propyl-2,3,4,5-tetrahydropyridine (CID 58247728) is 2-propyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-propyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-propyl-2,3,4,5-tetrahydropyridine is CCCC1CCCC=N1.
What is the InChIKey of 2-propyl-2,3,4,5-tetrahydropyridine?
The InChIKey is DWODULACGHMTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h7-8H,2-6H2,1H3.
What are the key properties of 2-propyl-2,3,4,5-tetrahydropyridine?
2-propyl-2,3,4,5-tetrahydropyridine has a molecular weight of 125.21 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 58247728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).