N-methyl-3,8-dipropylquinolin-2-amine

C16H22N2 — CID 55223741

IUPACN-methyl-3,8-dipropylquinolin-2-amine
SMILESCCCc1cc2cccc(CCC)c2nc1NC
InChIInChI=1S/C16H22N2/c1-4-7-12-9-6-10-13-11-14(8-5-2)16(17-3)18-15(12)13/h6,9-11H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyYEMWNUNJHRIOLK-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.18
Rot. Bonds5

About N-methyl-3,8-dipropylquinolin-2-amine

N-methyl-3,8-dipropylquinolin-2-amine (PubChem CID 55223741) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-methyl-3,8-dipropylquinolin-2-amine.

Molecular Properties

Compound NameN-methyl-3,8-dipropylquinolin-2-amine
PubChem CID55223741
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-methyl-3,8-dipropylquinolin-2-amine
SMILESCCCc1cc2cccc(CCC)c2nc1NC
InChIInChI=1S/C16H22N2/c1-4-7-12-9-6-10-13-11-14(8-5-2)16(17-3)18-15(12)13/h6,9-11H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyYEMWNUNJHRIOLK-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-3,8-dipropylquinolin-2-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-methyl-3,8-dipropylquinolin-2-amine?
The IUPAC name of N-methyl-3,8-dipropylquinolin-2-amine (CID 55223741) is N-methyl-3,8-dipropylquinolin-2-amine.
What is the SMILES notation for N-methyl-3,8-dipropylquinolin-2-amine?
The canonical SMILES for N-methyl-3,8-dipropylquinolin-2-amine is CCCc1cc2cccc(CCC)c2nc1NC.
What is the InChIKey of N-methyl-3,8-dipropylquinolin-2-amine?
The InChIKey is YEMWNUNJHRIOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-7-12-9-6-10-13-11-14(8-5-2)16(17-3)18-15(12)13/h6,9-11H,4-5,7-8H2,1-3H3,(H,17,18).
What are the key properties of N-methyl-3,8-dipropylquinolin-2-amine?
N-methyl-3,8-dipropylquinolin-2-amine has a molecular weight of 242.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,8-dipropylquinolin-2-amine is sourced from PubChem (CID 55223741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).