6-methyl-4-propylisoquinoline

C13H15N — CID 146477911

IUPAC6-methyl-4-propylisoquinoline
SMILESCCCc1cncc2ccc(C)cc12
InChIInChI=1S/C13H15N/c1-3-4-11-8-14-9-12-6-5-10(2)7-13(11)12/h5-9H,3-4H2,1-2H3
InChIKeyIZATVRLLWQUIHX-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.50
Rot. Bonds2

About 6-methyl-4-propylisoquinoline

6-methyl-4-propylisoquinoline (PubChem CID 146477911) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 6-methyl-4-propylisoquinoline.

Molecular Properties

Compound Name6-methyl-4-propylisoquinoline
PubChem CID146477911
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name6-methyl-4-propylisoquinoline
SMILESCCCc1cncc2ccc(C)cc12
InChIInChI=1S/C13H15N/c1-3-4-11-8-14-9-12-6-5-10(2)7-13(11)12/h5-9H,3-4H2,1-2H3
InChIKeyIZATVRLLWQUIHX-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-propylisoquinoline?
The IUPAC name of 6-methyl-4-propylisoquinoline (CID 146477911) is 6-methyl-4-propylisoquinoline.
What is the SMILES notation for 6-methyl-4-propylisoquinoline?
The canonical SMILES for 6-methyl-4-propylisoquinoline is CCCc1cncc2ccc(C)cc12.
What is the InChIKey of 6-methyl-4-propylisoquinoline?
The InChIKey is IZATVRLLWQUIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-3-4-11-8-14-9-12-6-5-10(2)7-13(11)12/h5-9H,3-4H2,1-2H3.
What are the key properties of 6-methyl-4-propylisoquinoline?
6-methyl-4-propylisoquinoline has a molecular weight of 185.27 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propylisoquinoline is sourced from PubChem (CID 146477911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).