1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine

C17H24N2S — CID 63835711

IUPAC1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine
SMILESCCC(N)Cc1cc2ccccc2nc1SC(C)CC
InChIInChI=1S/C17H24N2S/c1-4-12(3)20-17-14(11-15(18)5-2)10-13-8-6-7-9-16(13)19-17/h6-10,12,15H,4-5,11,18H2,1-3H3
InChIKeyJVSCDFRGBRACAL-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.41
Rot. Bonds6

About 1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine

1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine (PubChem CID 63835711) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine
PubChem CID63835711
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine
SMILESCCC(N)Cc1cc2ccccc2nc1SC(C)CC
InChIInChI=1S/C17H24N2S/c1-4-12(3)20-17-14(11-15(18)5-2)10-13-8-6-7-9-16(13)19-17/h6-10,12,15H,4-5,11,18H2,1-3H3
InChIKeyJVSCDFRGBRACAL-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine
CID 107752046
1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine
CID 107762497
2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride
CID 170893249
N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine
CID 55238495
1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine
CID 107783659
N-[[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 107761589
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 857618
3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol
CID 66102998
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
[2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine
CID 63809114
(2-methylsulfanylquinolin-3-yl)methanol
CID 63835189

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine?
The IUPAC name of 1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine (CID 63835711) is 1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine.
What is the SMILES notation for 1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine?
The canonical SMILES for 1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine is CCC(N)Cc1cc2ccccc2nc1SC(C)CC.
What is the InChIKey of 1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine?
The InChIKey is JVSCDFRGBRACAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-12(3)20-17-14(11-15(18)5-2)10-13-8-6-7-9-16(13)19-17/h6-10,12,15H,4-5,11,18H2,1-3H3.
What are the key properties of 1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine?
1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine is sourced from PubChem (CID 63835711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).