2-tert-butylsulfanyl-1-quinolin-6-ylethanamine

C15H20N2S — CID 81232046

IUPAC2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
SMILESCC(C)(C)SCC(N)c1ccc2ncccc2c1
InChIInChI=1S/C15H20N2S/c1-15(2,3)18-10-13(16)11-6-7-14-12(9-11)5-4-8-17-14/h4-9,13H,10,16H2,1-3H3
InChIKeyDEAVAMYRIYUATJ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.77
Rot. Bonds3

About 2-tert-butylsulfanyl-1-quinolin-6-ylethanamine

2-tert-butylsulfanyl-1-quinolin-6-ylethanamine (PubChem CID 81232046) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-quinolin-6-ylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
PubChem CID81232046
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
SMILESCC(C)(C)SCC(N)c1ccc2ncccc2c1
InChIInChI=1S/C15H20N2S/c1-15(2,3)18-10-13(16)11-6-7-14-12(9-11)5-4-8-17-14/h4-9,13H,10,16H2,1-3H3
InChIKeyDEAVAMYRIYUATJ-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propylsulfanyl-1-quinolin-6-ylethanamine
CID 81231903
1-quinolin-6-ylbutan-1-amine
CID 63095616
2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine
CID 81229129
5-methyl-1-quinolin-6-ylhexan-1-amine
CID 83161358
2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231763
1-quinolin-6-yldecan-1-amine
CID 63418413
2-methoxy-2-methyl-1-quinolin-6-ylbutan-1-amine
CID 116757484
2-tert-butylsulfanyl-1-quinolin-5-ylethanamine
CID 81231907
(4-tert-butylphenyl)-quinolin-6-ylmethanamine
CID 82106268
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
4-methoxy-1-quinolin-6-ylbutan-1-amine
CID 78924718
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-quinolin-6-ylethanamine?
The IUPAC name of 2-tert-butylsulfanyl-1-quinolin-6-ylethanamine (CID 81232046) is 2-tert-butylsulfanyl-1-quinolin-6-ylethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-1-quinolin-6-ylethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-1-quinolin-6-ylethanamine is CC(C)(C)SCC(N)c1ccc2ncccc2c1.
What is the InChIKey of 2-tert-butylsulfanyl-1-quinolin-6-ylethanamine?
The InChIKey is DEAVAMYRIYUATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-15(2,3)18-10-13(16)11-6-7-14-12(9-11)5-4-8-17-14/h4-9,13H,10,16H2,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-1-quinolin-6-ylethanamine?
2-tert-butylsulfanyl-1-quinolin-6-ylethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-quinolin-6-ylethanamine is sourced from PubChem (CID 81232046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).