2-propan-2-yl-3,4-dihydropyridine

C8H13N — CID 14979254

IUPAC2-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=NC=CCC1
InChIInChI=1S/C8H13N/c1-7(2)8-5-3-4-6-9-8/h4,6-7H,3,5H2,1-2H3
InChIKeyGYMWPZMRQAGQBM-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds1

About 2-propan-2-yl-3,4-dihydropyridine

2-propan-2-yl-3,4-dihydropyridine (PubChem CID 14979254) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-propan-2-yl-3,4-dihydropyridine
PubChem CID14979254
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=NC=CCC1
InChIInChI=1S/C8H13N/c1-7(2)8-5-3-4-6-9-8/h4,6-7H,3,5H2,1-2H3
InChIKeyGYMWPZMRQAGQBM-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-Fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
CID 141419498
5-Fluoro-2-propan-2-yl-3,4-dihydropyridine
CID 145484234
3-Fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 154991486
2-Ethyl-5-fluoro-4-methyl-3,4-dihydropyridine
CID 156207077
2,4-Dimethyl-4-ethylpyridine
CID 129809879
Azabicyclo[4.3.1]decadiene
CID 129815785
Azabicyclo[3.2.1]octadiene
CID 129817585
2-Methyl-4-(trifluoromethyl)-3,4-dihydropyridine
CID 152829510
4-Ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 162611849
2-Methyl-3,4-dihydropyridine
CID 14979252
2-Ethyl-3,4-dihydropyridine
CID 14979253
2,3-dimethyl-3H-pyrrole
CID 17769177

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 2-propan-2-yl-3,4-dihydropyridine (CID 14979254) is 2-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 2-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 2-propan-2-yl-3,4-dihydropyridine is CC(C)C1=NC=CCC1.
What is the InChIKey of 2-propan-2-yl-3,4-dihydropyridine?
The InChIKey is GYMWPZMRQAGQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)8-5-3-4-6-9-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-propan-2-yl-3,4-dihydropyridine?
2-propan-2-yl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 14979254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).