2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one

C15H22N2O — CID 60846487

IUPAC2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H22N2O/c1-3-9-15(2,16)14(18)17-10-8-12-6-4-5-7-13(12)11-17/h4-7H,3,8-11,16H2,1-2H3
InChIKeyFPXBXYCYTBNAEI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.09
Rot. Bonds3

About 2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one

2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one (PubChem CID 60846487) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one
PubChem CID60846487
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H22N2O/c1-3-9-15(2,16)14(18)17-10-8-12-6-4-5-7-13(12)11-17/h4-7H,3,8-11,16H2,1-2H3
InChIKeyFPXBXYCYTBNAEI-UHFFFAOYSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 5197459
2-bromo-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 71668783
3-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutan-1-one
CID 11492360
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-propylpropanamide
CID 108957012
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-2,2-dimethyl-3-oxopropanamide
CID 108963943
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(methylamino)propan-1-one
CID 62834313
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
CID 615216
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959834
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol
CID 143161512
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
CID 60847519
N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2942390
ethyl 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108964031

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one (CID 60846487) is 2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one is CCCC(C)(N)C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one?
The InChIKey is FPXBXYCYTBNAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-9-15(2,16)14(18)17-10-8-12-6-4-5-7-13(12)11-17/h4-7H,3,8-11,16H2,1-2H3.
What are the key properties of 2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one?
2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one is sourced from PubChem (CID 60846487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).