1,3-dimethylisoquinolin-7-amine

C11H12N2 — CID 174772287

IUPAC1,3-dimethylisoquinolin-7-amine
SMILESCc1cc2ccc(N)cc2c(C)n1
InChIInChI=1S/C11H12N2/c1-7-5-9-3-4-10(12)6-11(9)8(2)13-7/h3-6H,12H2,1-2H3
InChIKeyHUFCEAQPOBZWIY-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.43
Rot. Bonds

About 1,3-dimethylisoquinolin-7-amine

1,3-dimethylisoquinolin-7-amine (PubChem CID 174772287) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1,3-dimethylisoquinolin-7-amine.

Molecular Properties

Compound Name1,3-dimethylisoquinolin-7-amine
PubChem CID174772287
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1,3-dimethylisoquinolin-7-amine
SMILESCc1cc2ccc(N)cc2c(C)n1
InChIInChI=1S/C11H12N2/c1-7-5-9-3-4-10(12)6-11(9)8(2)13-7/h3-6H,12H2,1-2H3
InChIKeyHUFCEAQPOBZWIY-UHFFFAOYSA-N
XLogP2.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylisoquinolin-7-amine?
The IUPAC name of 1,3-dimethylisoquinolin-7-amine (CID 174772287) is 1,3-dimethylisoquinolin-7-amine.
What is the SMILES notation for 1,3-dimethylisoquinolin-7-amine?
The canonical SMILES for 1,3-dimethylisoquinolin-7-amine is Cc1cc2ccc(N)cc2c(C)n1.
What is the InChIKey of 1,3-dimethylisoquinolin-7-amine?
The InChIKey is HUFCEAQPOBZWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-7-5-9-3-4-10(12)6-11(9)8(2)13-7/h3-6H,12H2,1-2H3.
What are the key properties of 1,3-dimethylisoquinolin-7-amine?
1,3-dimethylisoquinolin-7-amine has a molecular weight of 172.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylisoquinolin-7-amine is sourced from PubChem (CID 174772287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).