1,6-dimethyl-6,7-dihydroisoquinoline

C11H13N — CID 58717366

IUPAC1,6-dimethyl-6,7-dihydroisoquinoline
SMILESCc1nccc2c1=CCC(C)C=2
InChIInChI=1S/C11H13N/c1-8-3-4-11-9(2)12-6-5-10(11)7-8/h4-8H,3H2,1-2H3
InChIKeySPBDNVYYGTUDEE-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.99
Rot. Bonds

About 1,6-dimethyl-6,7-dihydroisoquinoline

1,6-dimethyl-6,7-dihydroisoquinoline (PubChem CID 58717366) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 1,6-dimethyl-6,7-dihydroisoquinoline.

Molecular Properties

Compound Name1,6-dimethyl-6,7-dihydroisoquinoline
PubChem CID58717366
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name1,6-dimethyl-6,7-dihydroisoquinoline
SMILESCc1nccc2c1=CCC(C)C=2
InChIInChI=1S/C11H13N/c1-8-3-4-11-9(2)12-6-5-10(11)7-8/h4-8H,3H2,1-2H3
InChIKeySPBDNVYYGTUDEE-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

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Related Compounds

(1Z)-1-Benzazocine
CID 17846319
3h-Quinoline
CID 22027752
Dibenz[b,f]azocine
CID 23633137
4-Methyl-2,3-dihydroquinoline
CID 68274032
Methyl(ethyl) 3h azepine
CID 91189360
10,11-Dihydro-dibenzazepine
CID 126697729
4,6-Dihydroquinoline
CID 129722681
3-Fluoro-5-propan-2-yl-2,3-dihydroquinoline
CID 163719688
2,5-di(propan-2-yl)-3H-azepine
CID 10241356
Benz[b]azocine
CID 23636810
2-Ethyl-3h-pyrrolo[2,3-h]-quinoline
CID 129782376
4h-Indenopyridine
CID 129788783

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-6,7-dihydroisoquinoline?
The IUPAC name of 1,6-dimethyl-6,7-dihydroisoquinoline (CID 58717366) is 1,6-dimethyl-6,7-dihydroisoquinoline.
What is the SMILES notation for 1,6-dimethyl-6,7-dihydroisoquinoline?
The canonical SMILES for 1,6-dimethyl-6,7-dihydroisoquinoline is Cc1nccc2c1=CCC(C)C=2.
What is the InChIKey of 1,6-dimethyl-6,7-dihydroisoquinoline?
The InChIKey is SPBDNVYYGTUDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-3-4-11-9(2)12-6-5-10(11)7-8/h4-8H,3H2,1-2H3.
What are the key properties of 1,6-dimethyl-6,7-dihydroisoquinoline?
1,6-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 1,6-dimethyl-6,7-dihydroisoquinoline is sourced from PubChem (CID 58717366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).