1,4-dimethyl-1,8a-dihydroisoquinoline

C11H13N — CID 67987318

IUPAC1,4-dimethyl-1,8a-dihydroisoquinoline
SMILESCC1=C2C=CC=CC2C(C)N=C1
InChIInChI=1S/C11H13N/c1-8-7-12-9(2)11-6-4-3-5-10(8)11/h3-7,9,11H,1-2H3
InChIKeyHNYBGJUMFWYLCV-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.52
Rot. Bonds

About 1,4-dimethyl-1,8a-dihydroisoquinoline

1,4-dimethyl-1,8a-dihydroisoquinoline (PubChem CID 67987318) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 1,4-dimethyl-1,8a-dihydroisoquinoline.

Molecular Properties

Compound Name1,4-dimethyl-1,8a-dihydroisoquinoline
PubChem CID67987318
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name1,4-dimethyl-1,8a-dihydroisoquinoline
SMILESCC1=C2C=CC=CC2C(C)N=C1
InChIInChI=1S/C11H13N/c1-8-7-12-9(2)11-6-4-3-5-10(8)11/h3-7,9,11H,1-2H3
InChIKeyHNYBGJUMFWYLCV-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azaphenalenyl
CID 12996720
(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
4-Azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
CID 18187422
2,3,4-Trimethyl-2,3-dihydroquinoline
CID 20469210
8-Methyl-4a,8a-dihydroquinoline
CID 20772220
3,4,4a,7-Tetrahydroisoquinoline
CID 53727755
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
2,3,4-Trimethyl-2,3-dihydropyridine
CID 53836102
3-Ethyl-3,5,8,8a-tetrahydroquinoline
CID 53980454
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707
9bH-benzo[de]quinoline
CID 57001454

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-1,8a-dihydroisoquinoline?
The IUPAC name of 1,4-dimethyl-1,8a-dihydroisoquinoline (CID 67987318) is 1,4-dimethyl-1,8a-dihydroisoquinoline.
What is the SMILES notation for 1,4-dimethyl-1,8a-dihydroisoquinoline?
The canonical SMILES for 1,4-dimethyl-1,8a-dihydroisoquinoline is CC1=C2C=CC=CC2C(C)N=C1.
What is the InChIKey of 1,4-dimethyl-1,8a-dihydroisoquinoline?
The InChIKey is HNYBGJUMFWYLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-7-12-9(2)11-6-4-3-5-10(8)11/h3-7,9,11H,1-2H3.
What are the key properties of 1,4-dimethyl-1,8a-dihydroisoquinoline?
1,4-dimethyl-1,8a-dihydroisoquinoline has a molecular weight of 159.23 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-1,8a-dihydroisoquinoline is sourced from PubChem (CID 67987318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).