6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine

C17H23N — CID 167084461

IUPAC6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine
SMILESCC(C)C1=CC=C(c2ccc(C(C)C)cc2)CN1
InChIInChI=1S/C17H23N/c1-12(2)14-5-7-15(8-6-14)16-9-10-17(13(3)4)18-11-16/h5-10,12-13,18H,11H2,1-4H3
InChIKeyZAOQTDVZBZHIPD-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.34
Rot. Bonds3

About 6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine

6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine (PubChem CID 167084461) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine
PubChem CID167084461
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine
SMILESCC(C)C1=CC=C(c2ccc(C(C)C)cc2)CN1
InChIInChI=1S/C17H23N/c1-12(2)14-5-7-15(8-6-14)16-9-10-17(13(3)4)18-11-16/h5-10,12-13,18H,11H2,1-4H3
InChIKeyZAOQTDVZBZHIPD-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3,6-di(propan-2-yl)-1,2-dihydropyridazine
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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine?
The IUPAC name of 6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine (CID 167084461) is 6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine.
What is the SMILES notation for 6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine?
The canonical SMILES for 6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine is CC(C)C1=CC=C(c2ccc(C(C)C)cc2)CN1.
What is the InChIKey of 6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine?
The InChIKey is ZAOQTDVZBZHIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-12(2)14-5-7-15(8-6-14)16-9-10-17(13(3)4)18-11-16/h5-10,12-13,18H,11H2,1-4H3.
What are the key properties of 6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine?
6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine has a molecular weight of 241.38 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-(4-propan-2-ylphenyl)-1,2-dihydropyridine is sourced from PubChem (CID 167084461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).