2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine

C17H24N2O — CID 116725171

IUPAC2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)c1cccc2cnccc12)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-5-20-16(17(2,3)4)15(18)14-8-6-7-12-11-19-10-9-13(12)14/h6-11,15-16H,5,18H2,1-4H3
InChIKeyDFTWPJGQOVVVEY-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.69
Rot. Bonds4

About 2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine

2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine (PubChem CID 116725171) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine
PubChem CID116725171
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)c1cccc2cnccc12)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-5-20-16(17(2,3)4)15(18)14-8-6-7-12-11-19-10-9-13(12)14/h6-11,15-16H,5,18H2,1-4H3
InChIKeyDFTWPJGQOVVVEY-UHFFFAOYSA-N
XLogP3.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
1-isoquinolin-5-yl-2-methoxypropan-1-amine
CID 79617511
2-ethoxy-1-isoquinolin-8-ylpentan-1-amine
CID 103143794
2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol
CID 116752226
1-isoquinolin-5-yl-2-propylsulfanylethanamine
CID 65128548
(1-isoquinolin-5-yl-2,2-dimethylbutyl)hydrazine
CID 105303126
2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine
CID 116721851
(1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine
CID 115853123
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
CID 105219729
2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine
CID 103143806

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine (CID 116725171) is 2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine is CCOC(C(N)c1cccc2cnccc12)C(C)(C)C.
What is the InChIKey of 2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine?
The InChIKey is DFTWPJGQOVVVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-20-16(17(2,3)4)15(18)14-8-6-7-12-11-19-10-9-13(12)14/h6-11,15-16H,5,18H2,1-4H3.
What are the key properties of 2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine?
2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 116725171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).