ethane;6-methylisoquinoline

C18H33N — CID 145106291

IUPACethane;6-methylisoquinoline
SMILESCC.CC.CC.CC.Cc1ccc2cnccc2c1
InChIInChI=1S/C10H9N.4C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;4*1-2/h2-7H,1H3;4*1-2H3
InChIKeySLXNBGGOJGGCSS-UHFFFAOYSA-N
MW263.47 g/mol
LogP6.65
Rot. Bonds

About ethane;6-methylisoquinoline

ethane;6-methylisoquinoline (PubChem CID 145106291) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is ethane;6-methylisoquinoline.

Molecular Properties

Compound Nameethane;6-methylisoquinoline
PubChem CID145106291
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Nameethane;6-methylisoquinoline
SMILESCC.CC.CC.CC.Cc1ccc2cnccc2c1
InChIInChI=1S/C10H9N.4C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;4*1-2/h2-7H,1H3;4*1-2H3
InChIKeySLXNBGGOJGGCSS-UHFFFAOYSA-N
XLogP6.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methylisoquinoline?
The IUPAC name of ethane;6-methylisoquinoline (CID 145106291) is ethane;6-methylisoquinoline.
What is the SMILES notation for ethane;6-methylisoquinoline?
The canonical SMILES for ethane;6-methylisoquinoline is CC.CC.CC.CC.Cc1ccc2cnccc2c1.
What is the InChIKey of ethane;6-methylisoquinoline?
The InChIKey is SLXNBGGOJGGCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.4C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;4*1-2/h2-7H,1H3;4*1-2H3.
What are the key properties of ethane;6-methylisoquinoline?
ethane;6-methylisoquinoline has a molecular weight of 263.47 g/mol, XLogP of 6.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylisoquinoline is sourced from PubChem (CID 145106291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).