6-butyl-3,4-dihydropyridine

C9H15N — CID 57232756

IUPAC6-butyl-3,4-dihydropyridine
SMILESCCCCC1=CCCC=N1
InChIInChI=1S/C9H15N/c1-2-3-6-9-7-4-5-8-10-9/h7-8H,2-6H2,1H3
InChIKeySXJHKMNATMZKHK-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.93
Rot. Bonds3

About 6-butyl-3,4-dihydropyridine

6-butyl-3,4-dihydropyridine (PubChem CID 57232756) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 6-butyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-butyl-3,4-dihydropyridine
PubChem CID57232756
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name6-butyl-3,4-dihydropyridine
SMILESCCCCC1=CCCC=N1
InChIInChI=1S/C9H15N/c1-2-3-6-9-7-4-5-8-10-9/h7-8H,2-6H2,1H3
InChIKeySXJHKMNATMZKHK-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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Related Compounds

N-(cyclohexen-1-yl)ethanimine
CID 91406675
3-Fluoro-6-methyl-3,4-dihydropyridine
CID 89071510
6-Ethyl-4-fluoro-3,4-dihydropyridine
CID 143491679
2-Ethylidene-3,4,5,6-tetrahydro-2h-azepine
CID 129873673
6-Methyl-3,4-dihydropyridine
CID 14979256
6-Ethyl-3,4-dihydropyridine
CID 14979257
6-Propan-2-yl-3,4-dihydropyridine
CID 14979258
6-Tert-butyl-3,4-dihydropyridine
CID 14979259
2,4-Dimethylidene-5-propan-2-ylidenepyridine
CID 23532167
N-(cyclohexen-1-yl)-2-methylpropan-1-imine
CID 53736477
7-ethyl-4,5-dihydro-3H-azepine
CID 57035452
4-Ethyl-6-methyl-3,4-dihydropyridine
CID 57076451

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3,4-dihydropyridine?
The IUPAC name of 6-butyl-3,4-dihydropyridine (CID 57232756) is 6-butyl-3,4-dihydropyridine.
What is the SMILES notation for 6-butyl-3,4-dihydropyridine?
The canonical SMILES for 6-butyl-3,4-dihydropyridine is CCCCC1=CCCC=N1.
What is the InChIKey of 6-butyl-3,4-dihydropyridine?
The InChIKey is SXJHKMNATMZKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-6-9-7-4-5-8-10-9/h7-8H,2-6H2,1H3.
What are the key properties of 6-butyl-3,4-dihydropyridine?
6-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 6-butyl-3,4-dihydropyridine is sourced from PubChem (CID 57232756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).