6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one

C11H14N2O — CID 129139598

IUPAC6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2cc(CN)ccc2C1=O
InChIInChI=1S/C11H14N2O/c1-13-5-4-9-6-8(7-12)2-3-10(9)11(13)14/h2-3,6H,4-5,7,12H2,1H3
InChIKeyLUZHTOKPVJEJKQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.77
Rot. Bonds1

About 6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one

6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 129139598) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID129139598
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2cc(CN)ccc2C1=O
InChIInChI=1S/C11H14N2O/c1-13-5-4-9-6-8(7-12)2-3-10(9)11(13)14/h2-3,6H,4-5,7,12H2,1H3
InChIKeyLUZHTOKPVJEJKQ-UHFFFAOYSA-N
XLogP0.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(aminomethyl)-2-methyl-3H-isoindol-1-one
CID 83816625
5-(aminomethyl)-2-methylisoindole-1,3-dione
CID 82404123
ethane;2-methyl-3,4-dihydroisoquinolin-1-one
CID 91447303
1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
CID 82506730
1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159202967
(2S)-5,5-dimethyl-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)methylamino]hexanoic acid
CID 170973952
5-[4-(2-aminoethyl)phenyl]-2-methyl-3H-isoindol-1-one
CID 157017376
5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde
CID 82503449
6-amino-7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one
CID 146552750
5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde
CID 169335246
2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one
CID 146107579
6-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one
CID 146552574

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one (CID 129139598) is 6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one is CN1CCc2cc(CN)ccc2C1=O.
What is the InChIKey of 6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is LUZHTOKPVJEJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-5-4-9-6-8(7-12)2-3-10(9)11(13)14/h2-3,6H,4-5,7,12H2,1H3.
What are the key properties of 6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one?
6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 190.25 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 129139598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).