N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine

C17H24N2S — CID 63808487

IUPACN-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc2ccccc2nc1SCC(C)C
InChIInChI=1S/C17H24N2S/c1-4-9-18-11-15-10-14-7-5-6-8-16(14)19-17(15)20-12-13(2)3/h5-8,10,13,18H,4,9,11-12H2,1-3H3
InChIKeyNCKRSKXGJQDVNY-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.48
Rot. Bonds7

About N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine

N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine (PubChem CID 63808487) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
PubChem CID63808487
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc2ccccc2nc1SCC(C)C
InChIInChI=1S/C17H24N2S/c1-4-9-18-11-15-10-14-7-5-6-8-16(14)19-17(15)20-12-13(2)3/h5-8,10,13,18H,4,9,11-12H2,1-3H3
InChIKeyNCKRSKXGJQDVNY-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-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

2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine
CID 63809207
N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine
CID 55238495
N-[[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 107761589
N-[(2-pentylsulfanylquinolin-3-yl)methyl]propan-1-amine
CID 107761456
3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol
CID 66102998
N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 107783164
3-[3-[(2-methylpropylamino)methyl]quinolin-2-yl]sulfanylpropan-1-ol
CID 66128985
2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol
CID 63809105
N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine
CID 63857806
N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine
CID 15546843
N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine
CID 63807134
N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine
CID 63804478

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine (CID 63808487) is N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine is CCCNCc1cc2ccccc2nc1SCC(C)C.
What is the InChIKey of N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine?
The InChIKey is NCKRSKXGJQDVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-9-18-11-15-10-14-7-5-6-8-16(14)19-17(15)20-12-13(2)3/h5-8,10,13,18H,4,9,11-12H2,1-3H3.
What are the key properties of N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine?
N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63808487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).