[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine

C15H19N3O — CID 106540997

IUPAC[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine
SMILESCOc1cccc2c(N3CCCC3CN)nccc12
InChIInChI=1S/C15H19N3O/c1-19-14-6-2-5-13-12(14)7-8-17-15(13)18-9-3-4-11(18)10-16/h2,5-8,11H,3-4,9-10,16H2,1H3
InChIKeyBKVSUODOZULTAU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds3

About [1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine

[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine (PubChem CID 106540997) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine
PubChem CID106540997
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine
SMILESCOc1cccc2c(N3CCCC3CN)nccc12
InChIInChI=1S/C15H19N3O/c1-19-14-6-2-5-13-12(14)7-8-17-15(13)18-9-3-4-11(18)10-16/h2,5-8,11H,3-4,9-10,16H2,1H3
InChIKeyBKVSUODOZULTAU-UHFFFAOYSA-N
XLogP2.17
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(bromomethyl)azepan-1-yl]-5-methoxyisoquinoline
CID 106543196
1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine
CID 106540539
1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542383
1-[3-(bromomethyl)piperidin-1-yl]-5-methoxyisoquinoline
CID 106542924
(1-isoquinolin-1-ylazepan-2-yl)methanamine
CID 116640341
[1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 113371134
1-(5-methoxyisoquinolin-1-yl)piperidin-4-ol
CID 106541346
5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline
CID 106542347
3-ethyl-1-(5-methoxyisoquinolin-1-yl)piperidin-4-amine
CID 106540923
(1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine
CID 62592284
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
CID 115313360

Frequently Asked Questions

What is the IUPAC name of [1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine (CID 106540997) is [1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine is COc1cccc2c(N3CCCC3CN)nccc12.
What is the InChIKey of [1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is BKVSUODOZULTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-14-6-2-5-13-12(14)7-8-17-15(13)18-9-3-4-11(18)10-16/h2,5-8,11H,3-4,9-10,16H2,1H3.
What are the key properties of [1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine?
[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 106540997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).