3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine

C14H17N — CID 123654758

IUPAC3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine
SMILESCC1=CC(C2=CCC(C)C=N2)=CC=CC1
InChIInChI=1S/C14H17N/c1-11-5-3-4-6-13(9-11)14-8-7-12(2)10-15-14/h3-4,6,8-10,12H,5,7H2,1-2H3
InChIKeyGLHGKQLSGVBDIL-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.81
Rot. Bonds1

About 3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine

3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine (PubChem CID 123654758) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine
PubChem CID123654758
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine
SMILESCC1=CC(C2=CCC(C)C=N2)=CC=CC1
InChIInChI=1S/C14H17N/c1-11-5-3-4-6-13(9-11)14-8-7-12(2)10-15-14/h3-4,6,8-10,12H,5,7H2,1-2H3
InChIKeyGLHGKQLSGVBDIL-UHFFFAOYSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine?
The IUPAC name of 3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine (CID 123654758) is 3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine.
What is the SMILES notation for 3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine?
The canonical SMILES for 3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine is CC1=CC(C2=CCC(C)C=N2)=CC=CC1.
What is the InChIKey of 3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine?
The InChIKey is GLHGKQLSGVBDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-11-5-3-4-6-13(9-11)14-8-7-12(2)10-15-14/h3-4,6,8-10,12H,5,7H2,1-2H3.
What are the key properties of 3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine?
3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine has a molecular weight of 199.30 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(6-methylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyridine is sourced from PubChem (CID 123654758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).