4,8-dimethyl-6,7-dihydroisoquinoline

C11H13N — CID 89495197

IUPAC4,8-dimethyl-6,7-dihydroisoquinoline
SMILESCC1=c2cncc(C)c2=CCC1
InChIInChI=1S/C11H13N/c1-8-4-3-5-10-9(2)6-12-7-11(8)10/h5-7H,3-4H2,1-2H3
InChIKeyYBGVKKVITVNOTF-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.13
Rot. Bonds

About 4,8-dimethyl-6,7-dihydroisoquinoline

4,8-dimethyl-6,7-dihydroisoquinoline (PubChem CID 89495197) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 4,8-dimethyl-6,7-dihydroisoquinoline.

Molecular Properties

Compound Name4,8-dimethyl-6,7-dihydroisoquinoline
PubChem CID89495197
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name4,8-dimethyl-6,7-dihydroisoquinoline
SMILESCC1=c2cncc(C)c2=CCC1
InChIInChI=1S/C11H13N/c1-8-4-3-5-10-9(2)6-12-7-11(8)10/h5-7H,3-4H2,1-2H3
InChIKeyYBGVKKVITVNOTF-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-6,7-dihydroisoquinoline?
The IUPAC name of 4,8-dimethyl-6,7-dihydroisoquinoline (CID 89495197) is 4,8-dimethyl-6,7-dihydroisoquinoline.
What is the SMILES notation for 4,8-dimethyl-6,7-dihydroisoquinoline?
The canonical SMILES for 4,8-dimethyl-6,7-dihydroisoquinoline is CC1=c2cncc(C)c2=CCC1.
What is the InChIKey of 4,8-dimethyl-6,7-dihydroisoquinoline?
The InChIKey is YBGVKKVITVNOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-4-3-5-10-9(2)6-12-7-11(8)10/h5-7H,3-4H2,1-2H3.
What are the key properties of 4,8-dimethyl-6,7-dihydroisoquinoline?
4,8-dimethyl-6,7-dihydroisoquinoline has a molecular weight of 159.23 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-6,7-dihydroisoquinoline is sourced from PubChem (CID 89495197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).