5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine

C17H17BrN2S — CID 106539136

IUPAC5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine
SMILESCC(C)(CNc1nccc2c(Br)cccc12)c1cccs1
InChIInChI=1S/C17H17BrN2S/c1-17(2,15-7-4-10-21-15)11-20-16-13-5-3-6-14(18)12(13)8-9-19-16/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyZKCXALIFHXOXSH-UHFFFAOYSA-N
MW361.31 g/mol
LogP5.45
Rot. Bonds4

About 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine

5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine (PubChem CID 106539136) has the molecular formula C17H17BrN2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine
PubChem CID106539136
Molecular FormulaC17H17BrN2S
Molecular Weight361.31 g/mol
Exact Mass360.03
IUPAC Name5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine
SMILESCC(C)(CNc1nccc2c(Br)cccc12)c1cccs1
InChIInChI=1S/C17H17BrN2S/c1-17(2,15-7-4-10-21-15)11-20-16-13-5-3-6-14(18)12(13)8-9-19-16/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyZKCXALIFHXOXSH-UHFFFAOYSA-N
XLogP5.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.31
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528214
5-bromo-N-(1,3-thiazol-2-ylmethyl)isoquinolin-1-amine
CID 113350183
3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 80525947
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide
CID 78962887
5-bromo-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1H-pyrimidin-6-one
CID 136976455
1-N-(5-bromoisoquinolin-1-yl)butane-1,2-diamine
CID 106540633
5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine
CID 106538925
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-nitropyridine-4-carbonitrile
CID 80712424
5-bromo-N-(2-ethoxyethyl)isoquinolin-1-amine
CID 103847057
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 79099370
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 78962999
N-(2-methyl-2-thiophen-2-ylpropyl)thieno[3,2-d]pyrimidin-4-amine
CID 78962884

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine?
The IUPAC name of 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine (CID 106539136) is 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine.
What is the SMILES notation for 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine?
The canonical SMILES for 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine is CC(C)(CNc1nccc2c(Br)cccc12)c1cccs1.
What is the InChIKey of 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine?
The InChIKey is ZKCXALIFHXOXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2S/c1-17(2,15-7-4-10-21-15)11-20-16-13-5-3-6-14(18)12(13)8-9-19-16/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine?
5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine has a molecular weight of 361.31 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine is sourced from PubChem (CID 106539136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).