1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone

C14H26N2O — CID 167307175

IUPAC1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone
SMILESCC(=O)N1CC(CCN(C)C)C2CCCCC21
InChIInChI=1S/C14H26N2O/c1-11(17)16-10-12(8-9-15(2)3)13-6-4-5-7-14(13)16/h12-14H,4-10H2,1-3H3
InChIKeyCJRIILJXIQRJCI-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.98
Rot. Bonds3

About 1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone

1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone (PubChem CID 167307175) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone
PubChem CID167307175
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone
SMILESCC(=O)N1CC(CCN(C)C)C2CCCCC21
InChIInChI=1S/C14H26N2O/c1-11(17)16-10-12(8-9-15(2)3)13-6-4-5-7-14(13)16/h12-14H,4-10H2,1-3H3
InChIKeyCJRIILJXIQRJCI-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone with MolForge

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Related Compounds

1-[(4S,4aR,8aR)-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 7107075
1-[2-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone
CID 130138213
(4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid
CID 167740733
1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone
CID 130138354
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
7-bicyclo[4.1.0]heptanyl-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 115804218
1-[2-(dimethylamino)piperidin-1-yl]ethanone
CID 90836740
1-[(3aR,8aR)-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[3,2-b]azepin-1-yl]ethanone
CID 73440686
1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 165146175
1-[2-[[2-(dimethylamino)ethyl-(methylamino)amino]methyl]cyclohexyl]propan-2-one
CID 123824083
1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone
CID 14761798
2-cyclopentyl-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 116655257

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone?
The IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone (CID 167307175) is 1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone?
The canonical SMILES for 1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone is CC(=O)N1CC(CCN(C)C)C2CCCCC21.
What is the InChIKey of 1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone?
The InChIKey is CJRIILJXIQRJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(17)16-10-12(8-9-15(2)3)13-6-4-5-7-14(13)16/h12-14H,4-10H2,1-3H3.
What are the key properties of 1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone?
1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone has a molecular weight of 238.37 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone is sourced from PubChem (CID 167307175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).