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

C8H15N — CID 55288253

IUPAC6-propyl-1,2,3,4-tetrahydropyridine
SMILESCCCC1=CCCCN1
InChIInChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h6,9H,2-5,7H2,1H3
InChIKeyVPUXITVKYUEGNH-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.05
Rot. Bonds2

About 6-propyl-1,2,3,4-tetrahydropyridine

6-propyl-1,2,3,4-tetrahydropyridine (PubChem CID 55288253) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 6-propyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-propyl-1,2,3,4-tetrahydropyridine
PubChem CID55288253
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name6-propyl-1,2,3,4-tetrahydropyridine
SMILESCCCC1=CCCCN1
InChIInChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h6,9H,2-5,7H2,1H3
InChIKeyVPUXITVKYUEGNH-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-propyl-1,2,3,4-tetrahydropyridine (CID 55288253) is 6-propyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-propyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-propyl-1,2,3,4-tetrahydropyridine is CCCC1=CCCCN1.
What is the InChIKey of 6-propyl-1,2,3,4-tetrahydropyridine?
The InChIKey is VPUXITVKYUEGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h6,9H,2-5,7H2,1H3.
What are the key properties of 6-propyl-1,2,3,4-tetrahydropyridine?
6-propyl-1,2,3,4-tetrahydropyridine has a molecular weight of 125.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 55288253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).