1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine

C17H24N2S — CID 107762497

IUPAC1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine
SMILESCC(C)CCSc1nc2ccccc2cc1CC(C)N
InChIInChI=1S/C17H24N2S/c1-12(2)8-9-20-17-15(10-13(3)18)11-14-6-4-5-7-16(14)19-17/h4-7,11-13H,8-10,18H2,1-3H3
InChIKeyKQCJTDBQWROZLI-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.26
Rot. Bonds6

About 1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine

1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine (PubChem CID 107762497) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine
PubChem CID107762497
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine
SMILESCC(C)CCSc1nc2ccccc2cc1CC(C)N
InChIInChI=1S/C17H24N2S/c1-12(2)8-9-20-17-15(10-13(3)18)11-14-6-4-5-7-16(14)19-17/h4-7,11-13H,8-10,18H2,1-3H3
InChIKeyKQCJTDBQWROZLI-UHFFFAOYSA-N
XLogP4.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine
CID 107783659
1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine
CID 63835711
3-[3-[(2-methylpropylamino)methyl]quinolin-2-yl]sulfanylpropan-1-ol
CID 66128985
N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine
CID 54938310
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride
CID 171668935
[2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol
CID 55240821
N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 63808487
1-(2-imidazol-1-ylquinolin-3-yl)propan-2-amine
CID 55235840
2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride
CID 170893249
[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine
CID 107752046
1-(2-pyridin-3-yloxyquinolin-3-yl)propan-2-amine
CID 63815568
2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 857618

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine?
The IUPAC name of 1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine (CID 107762497) is 1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine?
The canonical SMILES for 1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine is CC(C)CCSc1nc2ccccc2cc1CC(C)N.
What is the InChIKey of 1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine?
The InChIKey is KQCJTDBQWROZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12(2)8-9-20-17-15(10-13(3)18)11-14-6-4-5-7-16(14)19-17/h4-7,11-13H,8-10,18H2,1-3H3.
What are the key properties of 1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine?
1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine is sourced from PubChem (CID 107762497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).