4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine

C13H23N — CID 67082324

IUPAC4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine
SMILESC=CCC1CC(CCCCC)=CCN1
InChIInChI=1S/C13H23N/c1-3-5-6-8-12-9-10-14-13(11-12)7-4-2/h4,9,13-14H,2-3,5-8,10-11H2,1H3
InChIKeyYEVCYFRUAVJOBP-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.43
Rot. Bonds6

About 4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine

4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine (PubChem CID 67082324) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine
PubChem CID67082324
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine
SMILESC=CCC1CC(CCCCC)=CCN1
InChIInChI=1S/C13H23N/c1-3-5-6-8-12-9-10-14-13(11-12)7-4-2/h4,9,13-14H,2-3,5-8,10-11H2,1H3
InChIKeyYEVCYFRUAVJOBP-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine (CID 67082324) is 4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine is C=CCC1CC(CCCCC)=CCN1.
What is the InChIKey of 4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine?
The InChIKey is YEVCYFRUAVJOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-5-6-8-12-9-10-14-13(11-12)7-4-2/h4,9,13-14H,2-3,5-8,10-11H2,1H3.
What are the key properties of 4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine?
4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine has a molecular weight of 193.33 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 67082324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).