1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

C16H20N2O2 — CID 104704943

IUPAC1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2cccc3cnccc23)CCOC1
InChIInChI=1S/C16H20N2O2/c1-19-16(6-8-20-12-16)11-18-10-14-4-2-3-13-9-17-7-5-15(13)14/h2-5,7,9,18H,6,8,10-12H2,1H3
InChIKeyPXMHHLCPLJPTOJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.13
Rot. Bonds5

About 1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (PubChem CID 104704943) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
PubChem CID104704943
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2cccc3cnccc23)CCOC1
InChIInChI=1S/C16H20N2O2/c1-19-16(6-8-20-12-16)11-18-10-14-4-2-3-13-9-17-7-5-15(13)14/h2-5,7,9,18H,6,8,10-12H2,1H3
InChIKeyPXMHHLCPLJPTOJ-UHFFFAOYSA-N
XLogP2.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705018
1-(3-chloro-2-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704871
1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123185
methyl 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]benzoate
CID 104721656
1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115558
N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 104759795
1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705086
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113443313
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile
CID 104705584
1-[3-(methoxymethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704964

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The IUPAC name of 1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (CID 104704943) is 1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The canonical SMILES for 1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is COC1(CNCc2cccc3cnccc23)CCOC1.
What is the InChIKey of 1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The InChIKey is PXMHHLCPLJPTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-16(6-8-20-12-16)11-18-10-14-4-2-3-13-9-17-7-5-15(13)14/h2-5,7,9,18H,6,8,10-12H2,1H3.
What are the key properties of 1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is sourced from PubChem (CID 104704943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).