1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine

C15H18N2O — CID 117358111

IUPAC1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine
SMILESCOc1nccc2cc(C3(C(C)N)CC3)ccc12
InChIInChI=1S/C15H18N2O/c1-10(16)15(6-7-15)12-3-4-13-11(9-12)5-8-17-14(13)18-2/h3-5,8-10H,6-7,16H2,1-2H3
InChIKeyAJLQEIZBKULTKB-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.62
Rot. Bonds3

About 1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine

1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine (PubChem CID 117358111) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine
PubChem CID117358111
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine
SMILESCOc1nccc2cc(C3(C(C)N)CC3)ccc12
InChIInChI=1S/C15H18N2O/c1-10(16)15(6-7-15)12-3-4-13-11(9-12)5-8-17-14(13)18-2/h3-5,8-10H,6-7,16H2,1-2H3
InChIKeyAJLQEIZBKULTKB-UHFFFAOYSA-N
XLogP2.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine (CID 117358111) is 1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine is COc1nccc2cc(C3(C(C)N)CC3)ccc12.
What is the InChIKey of 1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine?
The InChIKey is AJLQEIZBKULTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10(16)15(6-7-15)12-3-4-13-11(9-12)5-8-17-14(13)18-2/h3-5,8-10H,6-7,16H2,1-2H3.
What are the key properties of 1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine?
1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117358111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).