1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine

C15H20N2S — CID 81231833

IUPAC1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine
SMILESCCCSCC(N)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H20N2S/c1-3-8-18-10-14(16)12-6-7-15-13(9-12)5-4-11(2)17-15/h4-7,9,14H,3,8,10,16H2,1-2H3
InChIKeyWKIWXFJYCRFPIF-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.69
Rot. Bonds5

About 1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine

1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine (PubChem CID 81231833) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine
PubChem CID81231833
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine
SMILESCCCSCC(N)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H20N2S/c1-3-8-18-10-14(16)12-6-7-15-13(9-12)5-4-11(2)17-15/h4-7,9,14H,3,8,10,16H2,1-2H3
InChIKeyWKIWXFJYCRFPIF-UHFFFAOYSA-N
XLogP3.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.69
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-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine
CID 81231835
2-propylsulfanyl-1-quinolin-6-ylethanamine
CID 81231903
N-[1-(2-methylquinolin-6-yl)-2-propylsulfanylethyl]propan-1-amine
CID 81228646
1-(2-methylquinolin-6-yl)-2-propoxyethanamine
CID 81231742
3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 81231464
3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
CID 79016384
4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105172287
1-(2-methylquinolin-6-yl)-2-pyridin-4-ylethanamine
CID 81231601
2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine
CID 81232115
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128851
1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105172233

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine?
The IUPAC name of 1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine (CID 81231833) is 1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine.
What is the SMILES notation for 1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine?
The canonical SMILES for 1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine is CCCSCC(N)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine?
The InChIKey is WKIWXFJYCRFPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-8-18-10-14(16)12-6-7-15-13(9-12)5-4-11(2)17-15/h4-7,9,14H,3,8,10,16H2,1-2H3.
What are the key properties of 1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine?
1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine is sourced from PubChem (CID 81231833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).