3-butyl-1,4-dihydropyridine

C9H15N — CID 24977872

IUPAC3-butyl-1,4-dihydropyridine
SMILESCCCCC1=CNC=CC1
InChIInChI=1S/C9H15N/c1-2-3-5-9-6-4-7-10-8-9/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyBCZMVGNIQXIIRJ-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.57
Rot. Bonds3

About 3-butyl-1,4-dihydropyridine

3-butyl-1,4-dihydropyridine (PubChem CID 24977872) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-butyl-1,4-dihydropyridine.

Molecular Properties

Compound Name3-butyl-1,4-dihydropyridine
PubChem CID24977872
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-butyl-1,4-dihydropyridine
SMILESCCCCC1=CNC=CC1
InChIInChI=1S/C9H15N/c1-2-3-5-9-6-4-7-10-8-9/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyBCZMVGNIQXIIRJ-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,4-dihydropyridine?
The IUPAC name of 3-butyl-1,4-dihydropyridine (CID 24977872) is 3-butyl-1,4-dihydropyridine.
What is the SMILES notation for 3-butyl-1,4-dihydropyridine?
The canonical SMILES for 3-butyl-1,4-dihydropyridine is CCCCC1=CNC=CC1.
What is the InChIKey of 3-butyl-1,4-dihydropyridine?
The InChIKey is BCZMVGNIQXIIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-5-9-6-4-7-10-8-9/h4,7-8,10H,2-3,5-6H2,1H3.
What are the key properties of 3-butyl-1,4-dihydropyridine?
3-butyl-1,4-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,4-dihydropyridine is sourced from PubChem (CID 24977872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).