4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline

C17H21N — CID 145262451

IUPAC4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline
SMILESC=C(CCC(C)C)c1ccc2cncc(C)c2c1
InChIInChI=1S/C17H21N/c1-12(2)5-6-13(3)15-7-8-16-11-18-10-14(4)17(16)9-15/h7-12H,3,5-6H2,1-2,4H3
InChIKeyHXLFAEMCUSPRNY-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.99
Rot. Bonds4

About 4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline

4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline (PubChem CID 145262451) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline.

Molecular Properties

Compound Name4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline
PubChem CID145262451
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline
SMILESC=C(CCC(C)C)c1ccc2cncc(C)c2c1
InChIInChI=1S/C17H21N/c1-12(2)5-6-13(3)15-7-8-16-11-18-10-14(4)17(16)9-15/h7-12H,3,5-6H2,1-2,4H3
InChIKeyHXLFAEMCUSPRNY-UHFFFAOYSA-N
XLogP4.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline?
The IUPAC name of 4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline (CID 145262451) is 4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline.
What is the SMILES notation for 4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline?
The canonical SMILES for 4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline is C=C(CCC(C)C)c1ccc2cncc(C)c2c1.
What is the InChIKey of 4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline?
The InChIKey is HXLFAEMCUSPRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12(2)5-6-13(3)15-7-8-16-11-18-10-14(4)17(16)9-15/h7-12H,3,5-6H2,1-2,4H3.
What are the key properties of 4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline?
4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline has a molecular weight of 239.36 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(5-methylhex-1-en-2-yl)isoquinoline is sourced from PubChem (CID 145262451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).