2-(aminomethyl)-N,N-dimethylquinolin-8-amine

C12H15N3 — CID 82241300

IUPAC2-(aminomethyl)-N,N-dimethylquinolin-8-amine
SMILESCN(C)c1cccc2ccc(CN)nc12
InChIInChI=1S/C12H15N3/c1-15(2)11-5-3-4-9-6-7-10(8-13)14-12(9)11/h3-7H,8,13H2,1-2H3
InChIKeyNBTPHGLXMIOFCD-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.76
Rot. Bonds2

About 2-(aminomethyl)-N,N-dimethylquinolin-8-amine

2-(aminomethyl)-N,N-dimethylquinolin-8-amine (PubChem CID 82241300) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-dimethylquinolin-8-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-dimethylquinolin-8-amine
PubChem CID82241300
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-(aminomethyl)-N,N-dimethylquinolin-8-amine
SMILESCN(C)c1cccc2ccc(CN)nc12
InChIInChI=1S/C12H15N3/c1-15(2)11-5-3-4-9-6-7-10(8-13)14-12(9)11/h3-7H,8,13H2,1-2H3
InChIKeyNBTPHGLXMIOFCD-UHFFFAOYSA-N
XLogP1.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N,N-dimethylquinolin-8-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 2-(aminomethyl)-N,N-dimethylquinolin-8-amine?
The IUPAC name of 2-(aminomethyl)-N,N-dimethylquinolin-8-amine (CID 82241300) is 2-(aminomethyl)-N,N-dimethylquinolin-8-amine.
What is the SMILES notation for 2-(aminomethyl)-N,N-dimethylquinolin-8-amine?
The canonical SMILES for 2-(aminomethyl)-N,N-dimethylquinolin-8-amine is CN(C)c1cccc2ccc(CN)nc12.
What is the InChIKey of 2-(aminomethyl)-N,N-dimethylquinolin-8-amine?
The InChIKey is NBTPHGLXMIOFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-15(2)11-5-3-4-9-6-7-10(8-13)14-12(9)11/h3-7H,8,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-dimethylquinolin-8-amine?
2-(aminomethyl)-N,N-dimethylquinolin-8-amine has a molecular weight of 201.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-dimethylquinolin-8-amine is sourced from PubChem (CID 82241300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).