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

C16H22N2S — CID 55238495

IUPACN-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1cc2ccccc2nc1SC(C)C
InChIInChI=1S/C16H22N2S/c1-4-9-17-11-14-10-13-7-5-6-8-15(13)18-16(14)19-12(2)3/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeyUASVHQXFMCBFDD-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.23
Rot. Bonds6

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

N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine (PubChem CID 55238495) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine
PubChem CID55238495
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1cc2ccccc2nc1SC(C)C
InChIInChI=1S/C16H22N2S/c1-4-9-17-11-14-10-13-7-5-6-8-15(13)18-16(14)19-12(2)3/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeyUASVHQXFMCBFDD-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 107761589
N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 63808487
N-[(2-pentylsulfanylquinolin-3-yl)methyl]propan-1-amine
CID 107761456
N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 107783164
2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine
CID 63809207
3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol
CID 66102998
N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine
CID 15546843
2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol
CID 63809105
3-[3-[(2-methylpropylamino)methyl]quinolin-2-yl]sulfanylpropan-1-ol
CID 66128985
[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine
CID 107752046
N-[(4-chloro-2-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 114864462
N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine
CID 63809642

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine (CID 55238495) is N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine is CCCNCc1cc2ccccc2nc1SC(C)C.
What is the InChIKey of N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine?
The InChIKey is UASVHQXFMCBFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-9-17-11-14-10-13-7-5-6-8-15(13)18-16(14)19-12(2)3/h5-8,10,12,17H,4,9,11H2,1-3H3.
What are the key properties of N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine?
N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 55238495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).