6-propan-2-yl-1,2-dihydropyridine

C8H13N — CID 19606152

IUPAC6-propan-2-yl-1,2-dihydropyridine
SMILESCC(C)C1=CC=CCN1
InChIInChI=1S/C8H13N/c1-7(2)8-5-3-4-6-9-8/h3-5,7,9H,6H2,1-2H3
InChIKeyLPGAIRFSPIYFTD-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.69
Rot. Bonds1

About 6-propan-2-yl-1,2-dihydropyridine

6-propan-2-yl-1,2-dihydropyridine (PubChem CID 19606152) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 6-propan-2-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-propan-2-yl-1,2-dihydropyridine
PubChem CID19606152
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name6-propan-2-yl-1,2-dihydropyridine
SMILESCC(C)C1=CC=CCN1
InChIInChI=1S/C8H13N/c1-7(2)8-5-3-4-6-9-8/h3-5,7,9H,6H2,1-2H3
InChIKeyLPGAIRFSPIYFTD-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,2-dihydropyridine?
The IUPAC name of 6-propan-2-yl-1,2-dihydropyridine (CID 19606152) is 6-propan-2-yl-1,2-dihydropyridine.
What is the SMILES notation for 6-propan-2-yl-1,2-dihydropyridine?
The canonical SMILES for 6-propan-2-yl-1,2-dihydropyridine is CC(C)C1=CC=CCN1.
What is the InChIKey of 6-propan-2-yl-1,2-dihydropyridine?
The InChIKey is LPGAIRFSPIYFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)8-5-3-4-6-9-8/h3-5,7,9H,6H2,1-2H3.
What are the key properties of 6-propan-2-yl-1,2-dihydropyridine?
6-propan-2-yl-1,2-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,2-dihydropyridine is sourced from PubChem (CID 19606152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).