3-butyl-6-methyl-2,5-dihydropyridine

C10H17N — CID 57086307

IUPAC3-butyl-6-methyl-2,5-dihydropyridine
SMILESCCCCC1=CCC(C)=NC1
InChIInChI=1S/C10H17N/c1-3-4-5-10-7-6-9(2)11-8-10/h7H,3-6,8H2,1-2H3
InChIKeySQLCAKOQVVNHGY-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds3

About 3-butyl-6-methyl-2,5-dihydropyridine

3-butyl-6-methyl-2,5-dihydropyridine (PubChem CID 57086307) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-butyl-6-methyl-2,5-dihydropyridine.

Molecular Properties

Compound Name3-butyl-6-methyl-2,5-dihydropyridine
PubChem CID57086307
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-butyl-6-methyl-2,5-dihydropyridine
SMILESCCCCC1=CCC(C)=NC1
InChIInChI=1S/C10H17N/c1-3-4-5-10-7-6-9(2)11-8-10/h7H,3-6,8H2,1-2H3
InChIKeySQLCAKOQVVNHGY-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
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6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
Koreenceine A
CID 146683591
Azabicyclohexene
CID 67825525
5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-propyl-2H-pyrrole
CID 170067974
5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
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1-(cyclohexen-1-yl)-N-cyclohexylethanimine
CID 11148422
1-(cyclohexen-1-yl)-N-cyclohexylpropan-1-imine
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5-Methyl-4-pentyl-2h-pyrrole
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Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-methyl-2,5-dihydropyridine?
The IUPAC name of 3-butyl-6-methyl-2,5-dihydropyridine (CID 57086307) is 3-butyl-6-methyl-2,5-dihydropyridine.
What is the SMILES notation for 3-butyl-6-methyl-2,5-dihydropyridine?
The canonical SMILES for 3-butyl-6-methyl-2,5-dihydropyridine is CCCCC1=CCC(C)=NC1.
What is the InChIKey of 3-butyl-6-methyl-2,5-dihydropyridine?
The InChIKey is SQLCAKOQVVNHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-5-10-7-6-9(2)11-8-10/h7H,3-6,8H2,1-2H3.
What are the key properties of 3-butyl-6-methyl-2,5-dihydropyridine?
3-butyl-6-methyl-2,5-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-methyl-2,5-dihydropyridine is sourced from PubChem (CID 57086307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).