[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine

C16H19N3O — CID 66371786

IUPAC[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2c(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C16H19N3O/c17-8-12-7-11-3-1-2-4-15(11)16(18-12)19-9-13-5-6-14(10-19)20-13/h1-4,7,13-14H,5-6,8-10,17H2
InChIKeyLZRMQVKCCJYRQY-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.06
Rot. Bonds2

About [1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine

[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine (PubChem CID 66371786) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine
PubChem CID66371786
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2c(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C16H19N3O/c17-8-12-7-11-3-1-2-4-15(11)16(18-12)19-9-13-5-6-14(10-19)20-13/h1-4,7,13-14H,5-6,8-10,17H2
InChIKeyLZRMQVKCCJYRQY-UHFFFAOYSA-N
XLogP2.06
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine?
The IUPAC name of [1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine (CID 66371786) is [1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine.
What is the SMILES notation for [1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine?
The canonical SMILES for [1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine is NCc1cc2ccccc2c(N2CC3CCC(C2)O3)n1.
What is the InChIKey of [1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine?
The InChIKey is LZRMQVKCCJYRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-8-12-7-11-3-1-2-4-15(11)16(18-12)19-9-13-5-6-14(10-19)20-13/h1-4,7,13-14H,5-6,8-10,17H2.
What are the key properties of [1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine?
[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)isoquinolin-3-yl]methanamine is sourced from PubChem (CID 66371786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).