1,6-dimethylisoquinoline;ethane

C15H23N — CID 156751069

IUPAC1,6-dimethylisoquinoline;ethane
SMILESCC.CC.Cc1ccc2c(C)nccc2c1
InChIInChI=1S/C11H11N.2C2H6/c1-8-3-4-11-9(2)12-6-5-10(11)7-8;2*1-2/h3-7H,1-2H3;2*1-2H3
InChIKeyANAXMHNRUPYWIO-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.90
Rot. Bonds

About 1,6-dimethylisoquinoline;ethane

1,6-dimethylisoquinoline;ethane (PubChem CID 156751069) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1,6-dimethylisoquinoline;ethane.

Molecular Properties

Compound Name1,6-dimethylisoquinoline;ethane
PubChem CID156751069
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1,6-dimethylisoquinoline;ethane
SMILESCC.CC.Cc1ccc2c(C)nccc2c1
InChIInChI=1S/C11H11N.2C2H6/c1-8-3-4-11-9(2)12-6-5-10(11)7-8;2*1-2/h3-7H,1-2H3;2*1-2H3
InChIKeyANAXMHNRUPYWIO-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,7-dimethylisoquinoline
CID 59050335
6-bromo-1-methylisoquinoline
CID 74889121
2,7-dimethylphenanthrene;ethane
CID 91503011
1,6,7-trimethylisoquinoline
CID 138751801
(1-methylisoquinolin-6-yl)methanol
CID 117277021
1-methyl-6-methylsulfonylisoquinoline
CID 125457788
1-methyl-6-(trifluoromethoxy)isoquinoline
CID 91053898
3,8-dimethyl-1,7-naphthyridine;ethane
CID 142388787
6,7-dimethoxy-1-methylisoquinoline
CID 20725
2-(6-methylisoquinolin-1-yl)acetamide
CID 82575262
1,10-dimethyl-2,9-phenanthroline
CID 118895257
1,7,9-trimethylpyrido[3,4-b]indole
CID 163765434

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylisoquinoline;ethane?
The IUPAC name of 1,6-dimethylisoquinoline;ethane (CID 156751069) is 1,6-dimethylisoquinoline;ethane.
What is the SMILES notation for 1,6-dimethylisoquinoline;ethane?
The canonical SMILES for 1,6-dimethylisoquinoline;ethane is CC.CC.Cc1ccc2c(C)nccc2c1.
What is the InChIKey of 1,6-dimethylisoquinoline;ethane?
The InChIKey is ANAXMHNRUPYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.2C2H6/c1-8-3-4-11-9(2)12-6-5-10(11)7-8;2*1-2/h3-7H,1-2H3;2*1-2H3.
What are the key properties of 1,6-dimethylisoquinoline;ethane?
1,6-dimethylisoquinoline;ethane has a molecular weight of 217.36 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylisoquinoline;ethane is sourced from PubChem (CID 156751069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).