2-propylsulfanyl-1-quinolin-6-ylethanamine

C14H18N2S — CID 81231903

IUPAC2-propylsulfanyl-1-quinolin-6-ylethanamine
SMILESCCCSCC(N)c1ccc2ncccc2c1
InChIInChI=1S/C14H18N2S/c1-2-8-17-10-13(15)11-5-6-14-12(9-11)4-3-7-16-14/h3-7,9,13H,2,8,10,15H2,1H3
InChIKeyJNMISAWOQFYXFZ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.38
Rot. Bonds5

About 2-propylsulfanyl-1-quinolin-6-ylethanamine

2-propylsulfanyl-1-quinolin-6-ylethanamine (PubChem CID 81231903) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-propylsulfanyl-1-quinolin-6-ylethanamine.

Molecular Properties

Compound Name2-propylsulfanyl-1-quinolin-6-ylethanamine
PubChem CID81231903
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-propylsulfanyl-1-quinolin-6-ylethanamine
SMILESCCCSCC(N)c1ccc2ncccc2c1
InChIInChI=1S/C14H18N2S/c1-2-8-17-10-13(15)11-5-6-14-12(9-11)4-3-7-16-14/h3-7,9,13H,2,8,10,15H2,1H3
InChIKeyJNMISAWOQFYXFZ-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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

1-quinolin-6-ylbutan-1-amine
CID 63095616
2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
CID 81232046
1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine
CID 81231833
1-quinolin-6-yldecan-1-amine
CID 63418413
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
N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
CID 81231421
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
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-1-quinolin-6-ylethanamine?
The IUPAC name of 2-propylsulfanyl-1-quinolin-6-ylethanamine (CID 81231903) is 2-propylsulfanyl-1-quinolin-6-ylethanamine.
What is the SMILES notation for 2-propylsulfanyl-1-quinolin-6-ylethanamine?
The canonical SMILES for 2-propylsulfanyl-1-quinolin-6-ylethanamine is CCCSCC(N)c1ccc2ncccc2c1.
What is the InChIKey of 2-propylsulfanyl-1-quinolin-6-ylethanamine?
The InChIKey is JNMISAWOQFYXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-2-8-17-10-13(15)11-5-6-14-12(9-11)4-3-7-16-14/h3-7,9,13H,2,8,10,15H2,1H3.
What are the key properties of 2-propylsulfanyl-1-quinolin-6-ylethanamine?
2-propylsulfanyl-1-quinolin-6-ylethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-1-quinolin-6-ylethanamine is sourced from PubChem (CID 81231903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).