4-pentyl-1,2,3,4-tetrahydropyridine

C10H19N — CID 67057692

IUPAC4-pentyl-1,2,3,4-tetrahydropyridine
SMILESCCCCCC1C=CNCC1
InChIInChI=1S/C10H19N/c1-2-3-4-5-10-6-8-11-9-7-10/h6,8,10-11H,2-5,7,9H2,1H3
InChIKeyXQAAOHNANYIZPN-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.69
Rot. Bonds4

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

4-pentyl-1,2,3,4-tetrahydropyridine (PubChem CID 67057692) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-pentyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name4-pentyl-1,2,3,4-tetrahydropyridine
PubChem CID67057692
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-pentyl-1,2,3,4-tetrahydropyridine
SMILESCCCCCC1C=CNCC1
InChIInChI=1S/C10H19N/c1-2-3-4-5-10-6-8-11-9-7-10/h6,8,10-11H,2-5,7,9H2,1H3
InChIKeyXQAAOHNANYIZPN-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 4-pentyl-1,2,3,4-tetrahydropyridine (CID 67057692) is 4-pentyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 4-pentyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 4-pentyl-1,2,3,4-tetrahydropyridine is CCCCCC1C=CNCC1.
What is the InChIKey of 4-pentyl-1,2,3,4-tetrahydropyridine?
The InChIKey is XQAAOHNANYIZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-2-3-4-5-10-6-8-11-9-7-10/h6,8,10-11H,2-5,7,9H2,1H3.
What are the key properties of 4-pentyl-1,2,3,4-tetrahydropyridine?
4-pentyl-1,2,3,4-tetrahydropyridine has a molecular weight of 153.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 67057692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).