2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide

C14H21N3O — CID 63949438

IUPAC2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCc2ccccc2C1CN
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)10-17-8-7-11-5-3-4-6-12(11)13(17)9-15/h3-6,13H,7-10,15H2,1-2H3
InChIKeyHIEXWXVFBYRLTA-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.63
Rot. Bonds3

About 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide

2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide (PubChem CID 63949438) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide
PubChem CID63949438
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCc2ccccc2C1CN
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)10-17-8-7-11-5-3-4-6-12(11)13(17)9-15/h3-6,13H,7-10,15H2,1-2H3
InChIKeyHIEXWXVFBYRLTA-UHFFFAOYSA-N
XLogP0.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide
CID 63947796
N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 22742744
1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 82506899
methyl 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoate
CID 113369056
(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 113369044
1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one
CID 82898976
tert-butyl (1S)-1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 95473848
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
[2-[(3,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 105404068
[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-ethoxycyclobutyl)methanone
CID 167906369
[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 63949433
N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide
CID 23333327

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide (CID 63949438) is 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCc2ccccc2C1CN.
What is the InChIKey of 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide?
The InChIKey is HIEXWXVFBYRLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)14(18)10-17-8-7-11-5-3-4-6-12(11)13(17)9-15/h3-6,13H,7-10,15H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide?
2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide has a molecular weight of 247.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 63949438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).