8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine

C17H21N3O — CID 106540422

IUPAC8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc2ccnc(N3C4CCC3CC(N)C4)c2c1
InChIInChI=1S/C17H21N3O/c1-21-15-5-2-11-6-7-19-17(16(11)10-15)20-13-3-4-14(20)9-12(18)8-13/h2,5-7,10,12-14H,3-4,8-9,18H2,1H3
InChIKeyYMAIYKNPDANSSA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.70
Rot. Bonds2

About 8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine

8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 106540422) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID106540422
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc2ccnc(N3C4CCC3CC(N)C4)c2c1
InChIInChI=1S/C17H21N3O/c1-21-15-5-2-11-6-7-19-17(16(11)10-15)20-13-3-4-14(20)9-12(18)8-13/h2,5-7,10,12-14H,3-4,8-9,18H2,1H3
InChIKeyYMAIYKNPDANSSA-UHFFFAOYSA-N
XLogP2.70
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607
3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine
CID 116995308
1-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-7-methoxyisoquinoline
CID 25180239
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide
CID 106537108
N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine
CID 106543443
[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 106543635
1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol
CID 107407376
8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740546
1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542379
1-(7-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 106536320

Frequently Asked Questions

What is the IUPAC name of 8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 106540422) is 8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine is COc1ccc2ccnc(N3C4CCC3CC(N)C4)c2c1.
What is the InChIKey of 8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is YMAIYKNPDANSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-15-5-2-11-6-7-19-17(16(11)10-15)20-13-3-4-14(20)9-12(18)8-13/h2,5-7,10,12-14H,3-4,8-9,18H2,1H3.
What are the key properties of 8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 283.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 106540422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).