2-ethoxy-1-isoquinolin-8-ylpentan-1-amine

C16H22N2O — CID 103143794

IUPAC2-ethoxy-1-isoquinolin-8-ylpentan-1-amine
SMILESCCCC(OCC)C(N)c1cccc2ccncc12
InChIInChI=1S/C16H22N2O/c1-3-6-15(19-4-2)16(17)13-8-5-7-12-9-10-18-11-14(12)13/h5,7-11,15-16H,3-4,6,17H2,1-2H3
InChIKeyYUYJMGLQNUENOZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.44
Rot. Bonds6

About 2-ethoxy-1-isoquinolin-8-ylpentan-1-amine

2-ethoxy-1-isoquinolin-8-ylpentan-1-amine (PubChem CID 103143794) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-ethoxy-1-isoquinolin-8-ylpentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-isoquinolin-8-ylpentan-1-amine
PubChem CID103143794
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-ethoxy-1-isoquinolin-8-ylpentan-1-amine
SMILESCCCC(OCC)C(N)c1cccc2ccncc12
InChIInChI=1S/C16H22N2O/c1-3-6-15(19-4-2)16(17)13-8-5-7-12-9-10-18-11-14(12)13/h5,7-11,15-16H,3-4,6,17H2,1-2H3
InChIKeyYUYJMGLQNUENOZ-UHFFFAOYSA-N
XLogP3.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-pyridin-3-ylpentan-1-amine
CID 116717421
1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine
CID 103143798
1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine
CID 103143800
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
ethyl 2,3-dihydroxy-3-isoquinolin-8-ylpropanoate
CID 171866326
2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine
CID 116725171
1-isoquinolin-8-yl-2-methylpentan-1-ol
CID 103139250
2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine
CID 103143806
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143828
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-isoquinolin-8-ylpentan-1-amine?
The IUPAC name of 2-ethoxy-1-isoquinolin-8-ylpentan-1-amine (CID 103143794) is 2-ethoxy-1-isoquinolin-8-ylpentan-1-amine.
What is the SMILES notation for 2-ethoxy-1-isoquinolin-8-ylpentan-1-amine?
The canonical SMILES for 2-ethoxy-1-isoquinolin-8-ylpentan-1-amine is CCCC(OCC)C(N)c1cccc2ccncc12.
What is the InChIKey of 2-ethoxy-1-isoquinolin-8-ylpentan-1-amine?
The InChIKey is YUYJMGLQNUENOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-6-15(19-4-2)16(17)13-8-5-7-12-9-10-18-11-14(12)13/h5,7-11,15-16H,3-4,6,17H2,1-2H3.
What are the key properties of 2-ethoxy-1-isoquinolin-8-ylpentan-1-amine?
2-ethoxy-1-isoquinolin-8-ylpentan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-isoquinolin-8-ylpentan-1-amine is sourced from PubChem (CID 103143794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).