N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide

C14H21N2O+ — CID 7011709

IUPACN,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide
SMILESCN(C)C(=O)C[C@@H]1c2ccccc2CC[NH+]1C
InChIInChI=1S/C14H20N2O/c1-15(2)14(17)10-13-12-7-5-4-6-11(12)8-9-16(13)3/h4-7,13H,8-10H2,1-3H3/p+1/t13-/m1/s1
InChIKeyJAWNRVLCGWFQID-CYBMUJFWSA-O
MW233.34 g/mol
LogP0.28
Rot. Bonds2

About N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide

N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide (PubChem CID 7011709) has the molecular formula C14H21N2O+ and a molecular weight of 233.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide
PubChem CID7011709
Molecular FormulaC14H21N2O+
Molecular Weight233.34 g/mol
Exact Mass233.16
IUPAC NameN,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide
SMILESCN(C)C(=O)C[C@@H]1c2ccccc2CC[NH+]1C
InChIInChI=1S/C14H20N2O/c1-15(2)14(17)10-13-12-7-5-4-6-11(12)8-9-16(13)3/h4-7,13H,8-10H2,1-3H3/p+1/t13-/m1/s1
InChIKeyJAWNRVLCGWFQID-CYBMUJFWSA-O
XLogP0.28
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dihydro-1H-inden-1-ylamino)-N,N-dimethylacetamide
CID 43215159
2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide
CID 21316437
N-[2-[[(1S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]phenyl]-4-nitrobenzamide
CID 7176813
2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide
CID 63949438
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8712235
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 16741594
(1S)-2-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7346316
3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 97109671
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217
2-[2-[1-(3-cyanobenzoyl)azetidin-3-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-N,N-dimethylacetamide
CID 24734398
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide
CID 47175434

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide (CID 7011709) is N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide is CN(C)C(=O)C[C@@H]1c2ccccc2CC[NH+]1C.
What is the InChIKey of N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide?
The InChIKey is JAWNRVLCGWFQID-CYBMUJFWSA-O. The full InChI is InChI=1S/C14H20N2O/c1-15(2)14(17)10-13-12-7-5-4-6-11(12)8-9-16(13)3/h4-7,13H,8-10H2,1-3H3/p+1/t13-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide?
N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide has a molecular weight of 233.34 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide is sourced from PubChem (CID 7011709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).