3-butyl-2-methyl-3,4-dihydropyridine

C10H17N — CID 174735767

IUPAC3-butyl-2-methyl-3,4-dihydropyridine
SMILESCCCCC1CC=CN=C1C
InChIInChI=1S/C10H17N/c1-3-4-6-10-7-5-8-11-9(10)2/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyDWSWACQVOCLJTR-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.17
Rot. Bonds3

About 3-butyl-2-methyl-3,4-dihydropyridine

3-butyl-2-methyl-3,4-dihydropyridine (PubChem CID 174735767) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-butyl-2-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3-butyl-2-methyl-3,4-dihydropyridine
PubChem CID174735767
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-butyl-2-methyl-3,4-dihydropyridine
SMILESCCCCC1CC=CN=C1C
InChIInChI=1S/C10H17N/c1-3-4-6-10-7-5-8-11-9(10)2/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyDWSWACQVOCLJTR-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Butan-2-yl-6-fluoro-3-methyl-3,4-dihydropyridine
CID 138581069
2-(2-Fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
CID 141419498
3-Fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 154991486
2-ethyl-3-(trifluoromethyl)-4,5-dihydro-3H-azepine
CID 163622753
2,4-Dimethyl-4-ethylpyridine
CID 129809879
Azabicyclo[4.3.1]decadiene
CID 129815785
Azabicyclo[3.2.1]octadiene
CID 129817585
2-Propan-2-yl-3,4-dihydropyridine
CID 14979254
4,5,6,7-tetrahydro-3aH-indole
CID 20614425
2-methyl-3-propyl-3H-pyrrole
CID 20806847
3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole
CID 58544417
2-butan-2-yl-3H-pyrrole
CID 58559892

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methyl-3,4-dihydropyridine?
The IUPAC name of 3-butyl-2-methyl-3,4-dihydropyridine (CID 174735767) is 3-butyl-2-methyl-3,4-dihydropyridine.
What is the SMILES notation for 3-butyl-2-methyl-3,4-dihydropyridine?
The canonical SMILES for 3-butyl-2-methyl-3,4-dihydropyridine is CCCCC1CC=CN=C1C.
What is the InChIKey of 3-butyl-2-methyl-3,4-dihydropyridine?
The InChIKey is DWSWACQVOCLJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-6-10-7-5-8-11-9(10)2/h5,8,10H,3-4,6-7H2,1-2H3.
What are the key properties of 3-butyl-2-methyl-3,4-dihydropyridine?
3-butyl-2-methyl-3,4-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyl-3,4-dihydropyridine is sourced from PubChem (CID 174735767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).