N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine

C17H22N2 — CID 63346685

IUPACN-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine
SMILESCc1nc2ccccc2c(CNC2CCCC2)c1C
InChIInChI=1S/C17H22N2/c1-12-13(2)19-17-10-6-5-9-15(17)16(12)11-18-14-7-3-4-8-14/h5-6,9-10,14,18H,3-4,7-8,11H2,1-2H3
InChIKeyIMYWARDNMAZOKW-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.88
Rot. Bonds3

About N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine

N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine (PubChem CID 63346685) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine
PubChem CID63346685
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine
SMILESCc1nc2ccccc2c(CNC2CCCC2)c1C
InChIInChI=1S/C17H22N2/c1-12-13(2)19-17-10-6-5-9-15(17)16(12)11-18-14-7-3-4-8-14/h5-6,9-10,14,18H,3-4,7-8,11H2,1-2H3
InChIKeyIMYWARDNMAZOKW-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine 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-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine (CID 63346685) is N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine is Cc1nc2ccccc2c(CNC2CCCC2)c1C.
What is the InChIKey of N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine?
The InChIKey is IMYWARDNMAZOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-13(2)19-17-10-6-5-9-15(17)16(12)11-18-14-7-3-4-8-14/h5-6,9-10,14,18H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine?
N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine has a molecular weight of 254.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 63346685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).