5-butyl-3,4-dihydropyridine

C9H15N — CID 56992845

IUPAC5-butyl-3,4-dihydropyridine
SMILESCCCCC1=CN=CCC1
InChIInChI=1S/C9H15N/c1-2-3-5-9-6-4-7-10-8-9/h7-8H,2-6H2,1H3
InChIKeyDSAANUHNTNQDQD-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.93
Rot. Bonds3

About 5-butyl-3,4-dihydropyridine

5-butyl-3,4-dihydropyridine (PubChem CID 56992845) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-butyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-butyl-3,4-dihydropyridine
PubChem CID56992845
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-butyl-3,4-dihydropyridine
SMILESCCCCC1=CN=CCC1
InChIInChI=1S/C9H15N/c1-2-3-5-9-6-4-7-10-8-9/h7-8H,2-6H2,1H3
InChIKeyDSAANUHNTNQDQD-UHFFFAOYSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3,4-dihydropyridine?
The IUPAC name of 5-butyl-3,4-dihydropyridine (CID 56992845) is 5-butyl-3,4-dihydropyridine.
What is the SMILES notation for 5-butyl-3,4-dihydropyridine?
The canonical SMILES for 5-butyl-3,4-dihydropyridine is CCCCC1=CN=CCC1.
What is the InChIKey of 5-butyl-3,4-dihydropyridine?
The InChIKey is DSAANUHNTNQDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-5-9-6-4-7-10-8-9/h7-8H,2-6H2,1H3.
What are the key properties of 5-butyl-3,4-dihydropyridine?
5-butyl-3,4-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3,4-dihydropyridine is sourced from PubChem (CID 56992845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).