N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine

C17H24N2S — CID 65132080

IUPACN-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine
SMILESCCCNC(CSC(C)C)c1cccc2cnccc12
InChIInChI=1S/C17H24N2S/c1-4-9-19-17(12-20-13(2)3)16-7-5-6-14-11-18-10-8-15(14)16/h5-8,10-11,13,17,19H,4,9,12H2,1-3H3
InChIKeyGRCGHRZGNSZMAL-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.42
Rot. Bonds7

About N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine

N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine (PubChem CID 65132080) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine
PubChem CID65132080
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine
SMILESCCCNC(CSC(C)C)c1cccc2cnccc12
InChIInChI=1S/C17H24N2S/c1-4-9-19-17(12-20-13(2)3)16-7-5-6-14-11-18-10-8-15(14)16/h5-8,10-11,13,17,19H,4,9,12H2,1-3H3
InChIKeyGRCGHRZGNSZMAL-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(1-isoquinolin-5-yl-2-propylsulfanylethyl)propan-1-amine
CID 65129160
N-(2-butan-2-ylsulfanyl-1-isoquinolin-8-ylethyl)propan-1-amine
CID 103143600
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161
1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
CID 55229984
N-(2-butan-2-ylsulfanyl-1-isoquinolin-4-ylethyl)propan-1-amine
CID 65140966
2-butan-2-ylsulfanyl-N-ethyl-1-isoquinolin-8-ylethanamine
CID 103143599
(1-isoquinolin-5-yl-2-methylsulfanylethyl)hydrazine
CID 105213991
N-[(5-bromofuran-2-yl)-isoquinolin-5-ylmethyl]propan-1-amine
CID 115852979
N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine
CID 105143581
4,4,4-trifluoro-1-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103136036
1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
CID 103135847
N-[(5-iodothiophen-3-yl)-isoquinolin-5-ylmethyl]propan-1-amine
CID 115853076

Frequently Asked Questions

What is the IUPAC name of N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine?
The IUPAC name of N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine (CID 65132080) is N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine.
What is the SMILES notation for N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine?
The canonical SMILES for N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine is CCCNC(CSC(C)C)c1cccc2cnccc12.
What is the InChIKey of N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine?
The InChIKey is GRCGHRZGNSZMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-9-19-17(12-20-13(2)3)16-7-5-6-14-11-18-10-8-15(14)16/h5-8,10-11,13,17,19H,4,9,12H2,1-3H3.
What are the key properties of N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine?
N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 65132080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).