5,6-dimethyl-7,8-dihydroisoquinoline

C11H13N — CID 89031942

IUPAC5,6-dimethyl-7,8-dihydroisoquinoline
SMILESCC1=C(C)c2ccncc2CC1
InChIInChI=1S/C11H13N/c1-8-3-4-10-7-12-6-5-11(10)9(8)2/h5-7H,3-4H2,1-2H3
InChIKeyGGYYXZXWAAKNLF-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.82
Rot. Bonds

About 5,6-dimethyl-7,8-dihydroisoquinoline

5,6-dimethyl-7,8-dihydroisoquinoline (PubChem CID 89031942) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 5,6-dimethyl-7,8-dihydroisoquinoline.

Molecular Properties

Compound Name5,6-dimethyl-7,8-dihydroisoquinoline
PubChem CID89031942
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name5,6-dimethyl-7,8-dihydroisoquinoline
SMILESCC1=C(C)c2ccncc2CC1
InChIInChI=1S/C11H13N/c1-8-3-4-10-7-12-6-5-11(10)9(8)2/h5-7H,3-4H2,1-2H3
InChIKeyGGYYXZXWAAKNLF-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7,8-dihydroisoquinoline?
The IUPAC name of 5,6-dimethyl-7,8-dihydroisoquinoline (CID 89031942) is 5,6-dimethyl-7,8-dihydroisoquinoline.
What is the SMILES notation for 5,6-dimethyl-7,8-dihydroisoquinoline?
The canonical SMILES for 5,6-dimethyl-7,8-dihydroisoquinoline is CC1=C(C)c2ccncc2CC1.
What is the InChIKey of 5,6-dimethyl-7,8-dihydroisoquinoline?
The InChIKey is GGYYXZXWAAKNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-3-4-10-7-12-6-5-11(10)9(8)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-7,8-dihydroisoquinoline?
5,6-dimethyl-7,8-dihydroisoquinoline has a molecular weight of 159.23 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7,8-dihydroisoquinoline is sourced from PubChem (CID 89031942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).