3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine

C16H22N2 — CID 81221614

IUPAC3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
SMILESCCCNCCCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2/c1-3-10-17-11-4-5-14-7-9-16-15(12-14)8-6-13(2)18-16/h6-9,12,17H,3-5,10-11H2,1-2H3
InChIKeyRCSMWPVGFVJVIK-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.48
Rot. Bonds6

About 3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine

3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine (PubChem CID 81221614) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
PubChem CID81221614
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
SMILESCCCNCCCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2/c1-3-10-17-11-4-5-14-7-9-16-15(12-14)8-6-13(2)18-16/h6-9,12,17H,3-5,10-11H2,1-2H3
InChIKeyRCSMWPVGFVJVIK-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-(3-bromopropyl)-2-methylquinoline
CID 81221400
1-(2-methylquinolin-6-yl)-N-propylhexan-3-amine
CID 81230551
2-methyl-N-[2-(2-methylquinolin-6-yl)ethyl]propan-2-amine
CID 81224077
N-propyl-3-quinolin-7-ylpropan-1-amine
CID 81221698
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378704
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
2-(2-methylquinolin-6-yl)acetaldehyde
CID 81224774
N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine
CID 113410199
(2-methylquinolin-6-yl)methanethiol
CID 105379811
6-(3-bromopentyl)-2-methylquinoline
CID 81221482

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine (CID 81221614) is 3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine is CCCNCCCc1ccc2nc(C)ccc2c1.
What is the InChIKey of 3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine?
The InChIKey is RCSMWPVGFVJVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-10-17-11-4-5-14-7-9-16-15(12-14)8-6-13(2)18-16/h6-9,12,17H,3-5,10-11H2,1-2H3.
What are the key properties of 3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine?
3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 81221614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).