2-pentyl-1,4-dihydropyridine

C10H17N — CID 66587800

IUPAC2-pentyl-1,4-dihydropyridine
SMILESCCCCCC1=CCC=CN1
InChIInChI=1S/C10H17N/c1-2-3-4-7-10-8-5-6-9-11-10/h6,8-9,11H,2-5,7H2,1H3
InChIKeyZGZHXVSFJHWVOT-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.96
Rot. Bonds4

About 2-pentyl-1,4-dihydropyridine

2-pentyl-1,4-dihydropyridine (PubChem CID 66587800) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-pentyl-1,4-dihydropyridine.

Molecular Properties

Compound Name2-pentyl-1,4-dihydropyridine
PubChem CID66587800
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-pentyl-1,4-dihydropyridine
SMILESCCCCCC1=CCC=CN1
InChIInChI=1S/C10H17N/c1-2-3-4-7-10-8-5-6-9-11-10/h6,8-9,11H,2-5,7H2,1H3
InChIKeyZGZHXVSFJHWVOT-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.96
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 2-pentyl-1,4-dihydropyridine?
The IUPAC name of 2-pentyl-1,4-dihydropyridine (CID 66587800) is 2-pentyl-1,4-dihydropyridine.
What is the SMILES notation for 2-pentyl-1,4-dihydropyridine?
The canonical SMILES for 2-pentyl-1,4-dihydropyridine is CCCCCC1=CCC=CN1.
What is the InChIKey of 2-pentyl-1,4-dihydropyridine?
The InChIKey is ZGZHXVSFJHWVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-4-7-10-8-5-6-9-11-10/h6,8-9,11H,2-5,7H2,1H3.
What are the key properties of 2-pentyl-1,4-dihydropyridine?
2-pentyl-1,4-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,4-dihydropyridine is sourced from PubChem (CID 66587800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).