2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane

C16H23N — CID 170790101

IUPAC2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane
SMILESCC1=NC(c2ccccc2)=CCC1C.CCC
InChIInChI=1S/C13H15N.C3H8/c1-10-8-9-13(14-11(10)2)12-6-4-3-5-7-12;1-3-2/h3-7,9-10H,8H2,1-2H3;3H2,1-2H3
InChIKeyQYRPNHWBJUFATE-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.94
Rot. Bonds1

About 2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane

2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane (PubChem CID 170790101) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane.

Molecular Properties

Compound Name2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane
PubChem CID170790101
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane
SMILESCC1=NC(c2ccccc2)=CCC1C.CCC
InChIInChI=1S/C13H15N.C3H8/c1-10-8-9-13(14-11(10)2)12-6-4-3-5-7-12;1-3-2/h3-7,9-10H,8H2,1-2H3;3H2,1-2H3
InChIKeyQYRPNHWBJUFATE-UHFFFAOYSA-N
XLogP4.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane?
The IUPAC name of 2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane (CID 170790101) is 2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane.
What is the SMILES notation for 2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane?
The canonical SMILES for 2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane is CC1=NC(c2ccccc2)=CCC1C.CCC.
What is the InChIKey of 2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane?
The InChIKey is QYRPNHWBJUFATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C3H8/c1-10-8-9-13(14-11(10)2)12-6-4-3-5-7-12;1-3-2/h3-7,9-10H,8H2,1-2H3;3H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane?
2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane has a molecular weight of 229.37 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane is sourced from PubChem (CID 170790101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).