1-(quinolin-8-ylmethylsulfanyl)butan-2-amine

C14H18N2S — CID 66227986

IUPAC1-(quinolin-8-ylmethylsulfanyl)butan-2-amine
SMILESCCC(N)CSCc1cccc2cccnc12
InChIInChI=1S/C14H18N2S/c1-2-13(15)10-17-9-12-6-3-5-11-7-4-8-16-14(11)12/h3-8,13H,2,9-10,15H2,1H3
InChIKeyJGXFDPUQPDOCRK-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.21
Rot. Bonds5

About 1-(quinolin-8-ylmethylsulfanyl)butan-2-amine

1-(quinolin-8-ylmethylsulfanyl)butan-2-amine (PubChem CID 66227986) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name1-(quinolin-8-ylmethylsulfanyl)butan-2-amine
PubChem CID66227986
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(quinolin-8-ylmethylsulfanyl)butan-2-amine
SMILESCCC(N)CSCc1cccc2cccnc12
InChIInChI=1S/C14H18N2S/c1-2-13(15)10-17-9-12-6-3-5-11-7-4-8-16-14(11)12/h3-8,13H,2,9-10,15H2,1H3
InChIKeyJGXFDPUQPDOCRK-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(quinolin-8-ylmethylsulfinyl)butan-2-amine
CID 81193448
1-quinolin-8-ylpropan-2-amine
CID 63968867
1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66405485
2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 41286541
8-(3-bromopentyl)quinoline
CID 81221481
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid
CID 83149658
8-(2-methylprop-2-enyl)quinoline
CID 142452195
(2R)-2-amino-3-[(6-fluoroquinolin-8-yl)methylsulfanyl]propanoic acid
CID 61141175
8-but-2-ynylquinoline
CID 134164519
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylmethylsulfanyl)butan-2-amine?
The IUPAC name of 1-(quinolin-8-ylmethylsulfanyl)butan-2-amine (CID 66227986) is 1-(quinolin-8-ylmethylsulfanyl)butan-2-amine.
What is the SMILES notation for 1-(quinolin-8-ylmethylsulfanyl)butan-2-amine?
The canonical SMILES for 1-(quinolin-8-ylmethylsulfanyl)butan-2-amine is CCC(N)CSCc1cccc2cccnc12.
What is the InChIKey of 1-(quinolin-8-ylmethylsulfanyl)butan-2-amine?
The InChIKey is JGXFDPUQPDOCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-2-13(15)10-17-9-12-6-3-5-11-7-4-8-16-14(11)12/h3-8,13H,2,9-10,15H2,1H3.
What are the key properties of 1-(quinolin-8-ylmethylsulfanyl)butan-2-amine?
1-(quinolin-8-ylmethylsulfanyl)butan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylmethylsulfanyl)butan-2-amine is sourced from PubChem (CID 66227986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).