6,8-dimethylisoquinoline;ethane

C13H17N — CID 143881412

IUPAC6,8-dimethylisoquinoline;ethane
SMILESCC.Cc1cc(C)c2cnccc2c1
InChIInChI=1S/C11H11N.C2H6/c1-8-5-9(2)11-7-12-4-3-10(11)6-8;1-2/h3-7H,1-2H3;1-2H3
InChIKeyCPEGFFZIRGNQRG-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.88
Rot. Bonds

About 6,8-dimethylisoquinoline;ethane

6,8-dimethylisoquinoline;ethane (PubChem CID 143881412) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 6,8-dimethylisoquinoline;ethane.

Molecular Properties

Compound Name6,8-dimethylisoquinoline;ethane
PubChem CID143881412
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name6,8-dimethylisoquinoline;ethane
SMILESCC.Cc1cc(C)c2cnccc2c1
InChIInChI=1S/C11H11N.C2H6/c1-8-5-9(2)11-7-12-4-3-10(11)6-8;1-2/h3-7H,1-2H3;1-2H3
InChIKeyCPEGFFZIRGNQRG-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-ethyl-6-methylisoquinoline
CID 130267098
ethane;6-methylisoquinoline
CID 145106291
1,3-dimethylnaphthalene;ethane
CID 145447624
ethane;1,3,6-trimethylnaphthalene
CID 91186069
6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline
CID 167020685
2,9-phenanthroline
CID 23271029
11-methylnaphtho[1,2-h]isoquinoline
CID 134973288
N,3-dimethyl-2,7-naphthyridin-1-amine
CID 89019478
9-methylbenzo[g]isoquinoline
CID 167164777
3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine
CID 23467656
ethane;3-methylthieno[3,4-c]pyridine
CID 144655505
1,3-dimethyl-7-(4-methylphenyl)naphthalene
CID 160612509

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethylisoquinoline;ethane?
The IUPAC name of 6,8-dimethylisoquinoline;ethane (CID 143881412) is 6,8-dimethylisoquinoline;ethane.
What is the SMILES notation for 6,8-dimethylisoquinoline;ethane?
The canonical SMILES for 6,8-dimethylisoquinoline;ethane is CC.Cc1cc(C)c2cnccc2c1.
What is the InChIKey of 6,8-dimethylisoquinoline;ethane?
The InChIKey is CPEGFFZIRGNQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C2H6/c1-8-5-9(2)11-7-12-4-3-10(11)6-8;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of 6,8-dimethylisoquinoline;ethane?
6,8-dimethylisoquinoline;ethane has a molecular weight of 187.29 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethylisoquinoline;ethane is sourced from PubChem (CID 143881412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).