N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine

C21H22N4 — CID 156839455

IUPACN,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine
SMILESCNc1cccc2c(C)nccc12.CNc1cccc2cnccc12
InChIInChI=1S/C11H12N2.C10H10N2/c1-8-9-4-3-5-11(12-2)10(9)6-7-13-8;1-11-10-4-2-3-8-7-12-6-5-9(8)10/h3-7,12H,1-2H3;2-7,11H,1H3
InChIKeySMMUHHPSIOAPCS-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.86
Rot. Bonds2

About N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine

N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine (PubChem CID 156839455) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine.

Molecular Properties

Compound NameN,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine
PubChem CID156839455
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC NameN,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine
SMILESCNc1cccc2c(C)nccc12.CNc1cccc2cnccc12
InChIInChI=1S/C11H12N2.C10H10N2/c1-8-9-4-3-5-11(12-2)10(9)6-7-13-8;1-11-10-4-2-3-8-7-12-6-5-9(8)10/h3-7,12H,1-2H3;2-7,11H,1H3
InChIKeySMMUHHPSIOAPCS-UHFFFAOYSA-N
XLogP4.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine?
The IUPAC name of N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine (CID 156839455) is N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine.
What is the SMILES notation for N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine?
The canonical SMILES for N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine is CNc1cccc2c(C)nccc12.CNc1cccc2cnccc12.
What is the InChIKey of N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine?
The InChIKey is SMMUHHPSIOAPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C10H10N2/c1-8-9-4-3-5-11(12-2)10(9)6-7-13-8;1-11-10-4-2-3-8-7-12-6-5-9(8)10/h3-7,12H,1-2H3;2-7,11H,1H3.
What are the key properties of N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine?
N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine has a molecular weight of 330.44 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine is sourced from PubChem (CID 156839455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).