4,7-dimethyl-6,7-dihydroisoquinoline

C11H13N — CID 89495216

IUPAC4,7-dimethyl-6,7-dihydroisoquinoline
SMILESCc1cncc2c1=CCC(C)C=2
InChIInChI=1S/C11H13N/c1-8-3-4-11-9(2)6-12-7-10(11)5-8/h4-8H,3H2,1-2H3
InChIKeyYDEVARBIDOPBRB-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.99
Rot. Bonds

About 4,7-dimethyl-6,7-dihydroisoquinoline

4,7-dimethyl-6,7-dihydroisoquinoline (PubChem CID 89495216) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 4,7-dimethyl-6,7-dihydroisoquinoline.

Molecular Properties

Compound Name4,7-dimethyl-6,7-dihydroisoquinoline
PubChem CID89495216
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name4,7-dimethyl-6,7-dihydroisoquinoline
SMILESCc1cncc2c1=CCC(C)C=2
InChIInChI=1S/C11H13N/c1-8-3-4-11-9(2)6-12-7-10(11)5-8/h4-8H,3H2,1-2H3
InChIKeyYDEVARBIDOPBRB-UHFFFAOYSA-N
XLogP0.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,7-dimethyl-6,7-dihydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6,7-dihydroisoquinoline?
The IUPAC name of 4,7-dimethyl-6,7-dihydroisoquinoline (CID 89495216) is 4,7-dimethyl-6,7-dihydroisoquinoline.
What is the SMILES notation for 4,7-dimethyl-6,7-dihydroisoquinoline?
The canonical SMILES for 4,7-dimethyl-6,7-dihydroisoquinoline is Cc1cncc2c1=CCC(C)C=2.
What is the InChIKey of 4,7-dimethyl-6,7-dihydroisoquinoline?
The InChIKey is YDEVARBIDOPBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-3-4-11-9(2)6-12-7-10(11)5-8/h4-8H,3H2,1-2H3.
What are the key properties of 4,7-dimethyl-6,7-dihydroisoquinoline?
4,7-dimethyl-6,7-dihydroisoquinoline has a molecular weight of 159.23 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-6,7-dihydroisoquinoline is sourced from PubChem (CID 89495216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).