4-butyl-2,3-dimethylidenepyridine

C11H15N — CID 123844863

IUPAC4-butyl-2,3-dimethylidenepyridine
SMILESC=c1nccc(CCCC)c1=C
InChIInChI=1S/C11H15N/c1-4-5-6-11-7-8-12-10(3)9(11)2/h7-8H,2-6H2,1H3
InChIKeyDNFSJHJVUDKZIR-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.24
Rot. Bonds3

About 4-butyl-2,3-dimethylidenepyridine

4-butyl-2,3-dimethylidenepyridine (PubChem CID 123844863) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 4-butyl-2,3-dimethylidenepyridine.

Molecular Properties

Compound Name4-butyl-2,3-dimethylidenepyridine
PubChem CID123844863
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name4-butyl-2,3-dimethylidenepyridine
SMILESC=c1nccc(CCCC)c1=C
InChIInChI=1S/C11H15N/c1-4-5-6-11-7-8-12-10(3)9(11)2/h7-8H,2-6H2,1H3
InChIKeyDNFSJHJVUDKZIR-UHFFFAOYSA-N
XLogP1.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-butyl-2,3-dimethylidenepyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dihydrodibenzazepine
CID 87126010
N-(cyclohexen-1-yl)ethanimine
CID 91406675
8-Fluoro-4-propyl-6,7-dihydroquinoline
CID 123389573
(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine
CID 135128526
Pyrrolo[3,2-f]-azulene
CID 129649542
3,4-Dibutylcyclopenta[b]pyrrole
CID 21095325
3,4-Dipropylcyclopenta[b]pyrrole
CID 21095412
2,4-Dimethylidene-5-propan-2-ylidenepyridine
CID 23532167
7-propyl-6H-indole
CID 56638971
5,6-dihydro-4H-indole
CID 57227928
N-(6-methylcyclohexa-1,5-dien-1-yl)ethanimine
CID 68266833
4-[(E)-but-2-en-2-yl]-2,3-dihydropyridine
CID 69938003

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,3-dimethylidenepyridine?
The IUPAC name of 4-butyl-2,3-dimethylidenepyridine (CID 123844863) is 4-butyl-2,3-dimethylidenepyridine.
What is the SMILES notation for 4-butyl-2,3-dimethylidenepyridine?
The canonical SMILES for 4-butyl-2,3-dimethylidenepyridine is C=c1nccc(CCCC)c1=C.
What is the InChIKey of 4-butyl-2,3-dimethylidenepyridine?
The InChIKey is DNFSJHJVUDKZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-4-5-6-11-7-8-12-10(3)9(11)2/h7-8H,2-6H2,1H3.
What are the key properties of 4-butyl-2,3-dimethylidenepyridine?
4-butyl-2,3-dimethylidenepyridine has a molecular weight of 161.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,3-dimethylidenepyridine is sourced from PubChem (CID 123844863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).