N,N-dimethylisoquinolin-7-amine

C11H12N2 — CID 82572114

IUPACN,N-dimethylisoquinolin-7-amine
SMILESCN(C)c1ccc2ccncc2c1
InChIInChI=1S/C11H12N2/c1-13(2)11-4-3-9-5-6-12-8-10(9)7-11/h3-8H,1-2H3
InChIKeyIGSBVSITUPBKAR-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.30
Rot. Bonds1

About N,N-dimethylisoquinolin-7-amine

N,N-dimethylisoquinolin-7-amine (PubChem CID 82572114) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N,N-dimethylisoquinolin-7-amine.

Molecular Properties

Compound NameN,N-dimethylisoquinolin-7-amine
PubChem CID82572114
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC NameN,N-dimethylisoquinolin-7-amine
SMILESCN(C)c1ccc2ccncc2c1
InChIInChI=1S/C11H12N2/c1-13(2)11-4-3-9-5-6-12-8-10(9)7-11/h3-8H,1-2H3
InChIKeyIGSBVSITUPBKAR-UHFFFAOYSA-N
XLogP2.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylisoquinolin-7-amine?
The IUPAC name of N,N-dimethylisoquinolin-7-amine (CID 82572114) is N,N-dimethylisoquinolin-7-amine.
What is the SMILES notation for N,N-dimethylisoquinolin-7-amine?
The canonical SMILES for N,N-dimethylisoquinolin-7-amine is CN(C)c1ccc2ccncc2c1.
What is the InChIKey of N,N-dimethylisoquinolin-7-amine?
The InChIKey is IGSBVSITUPBKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-13(2)11-4-3-9-5-6-12-8-10(9)7-11/h3-8H,1-2H3.
What are the key properties of N,N-dimethylisoquinolin-7-amine?
N,N-dimethylisoquinolin-7-amine has a molecular weight of 172.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylisoquinolin-7-amine is sourced from PubChem (CID 82572114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).