1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

C18H26N2O — CID 119541380

IUPAC1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILESCNCC1CCN(C(=O)CC2CCc3ccccc3C2)C1
InChIInChI=1S/C18H26N2O/c1-19-12-15-8-9-20(13-15)18(21)11-14-6-7-16-4-2-3-5-17(16)10-14/h2-5,14-15,19H,6-13H2,1H3
InChIKeyLSDFQUGGIQAZRT-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.25
Rot. Bonds4

About 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 119541380) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
PubChem CID119541380
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILESCNCC1CCN(C(=O)CC2CCc3ccccc3C2)C1
InChIInChI=1S/C18H26N2O/c1-19-12-15-8-9-20(13-15)18(21)11-14-6-7-16-4-2-3-5-17(16)10-14/h2-5,14-15,19H,6-13H2,1H3
InChIKeyLSDFQUGGIQAZRT-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone;hydrochloride
CID 119375839
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
[(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 124847487
(3S)-3-methyl-1-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 125133836
2-(2,6-dichlorophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119542039
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 124612859
2-methyl-1-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one
CID 119540316
(2S)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 15021263
2-(4-ethylphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119540932
(2S)-1-[2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 15021264
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (CID 119541380) is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is CNCC1CCN(C(=O)CC2CCc3ccccc3C2)C1.
What is the InChIKey of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is LSDFQUGGIQAZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-19-12-15-8-9-20(13-15)18(21)11-14-6-7-16-4-2-3-5-17(16)10-14/h2-5,14-15,19H,6-13H2,1H3.
What are the key properties of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 286.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 119541380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).