1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine

C16H20N2O2 — CID 106542107

IUPAC1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine
SMILESCOc1ccc2ccnc(OCC3(N)CCCC3)c2c1
InChIInChI=1S/C16H20N2O2/c1-19-13-5-4-12-6-9-18-15(14(12)10-13)20-11-16(17)7-2-3-8-16/h4-6,9-10H,2-3,7-8,11,17H2,1H3
InChIKeyLSISRWQYNPFQID-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.89
Rot. Bonds4

About 1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine

1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine (PubChem CID 106542107) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine
PubChem CID106542107
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine
SMILESCOc1ccc2ccnc(OCC3(N)CCCC3)c2c1
InChIInChI=1S/C16H20N2O2/c1-19-13-5-4-12-6-9-18-15(14(12)10-13)20-11-16(17)7-2-3-8-16/h4-6,9-10H,2-3,7-8,11,17H2,1H3
InChIKeyLSISRWQYNPFQID-UHFFFAOYSA-N
XLogP2.89
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine
CID 116995348
1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine
CID 64574177
7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
CID 106538593
1-ethyl-7-methoxyisoquinoline
CID 119092688
4-[(1-aminocycloheptyl)methoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114586499
[1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine
CID 117358088
1-[(1-methylimidazo[4,5-c]pyridin-4-yl)oxymethyl]cyclopentan-1-amine
CID 103386304
7-methoxyisoquinoline-1-sulfonamide
CID 106541871
1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine
CID 64572751
1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol
CID 107407376
[2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 107713409
7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine
CID 106539062

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine (CID 106542107) is 1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine is COc1ccc2ccnc(OCC3(N)CCCC3)c2c1.
What is the InChIKey of 1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine?
The InChIKey is LSISRWQYNPFQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-13-5-4-12-6-9-18-15(14(12)10-13)20-11-16(17)7-2-3-8-16/h4-6,9-10H,2-3,7-8,11,17H2,1H3.
What are the key properties of 1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine?
1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 106542107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).