2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride

C14H27ClN2O2 — CID 119784924

IUPAC2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1C(C)CC2CCCCC21.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-11-9-12-5-3-4-6-13(12)16(11)14(17)10-15-7-8-18-2;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyYSJYNKVYYVBTRE-UHFFFAOYSA-N
MW290.84 g/mol
LogP1.82
Rot. Bonds5

About 2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride

2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride (PubChem CID 119784924) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride
PubChem CID119784924
Molecular FormulaC14H27ClN2O2
Molecular Weight290.84 g/mol
Exact Mass290.18
IUPAC Name2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1C(C)CC2CCCCC21.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-11-9-12-5-3-4-6-13(12)16(11)14(17)10-15-7-8-18-2;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyYSJYNKVYYVBTRE-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-methoxyethylamino)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 79281686
1-[(2R,3aR,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-(2-methoxyethoxy)ethanone
CID 97091786
1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-cyclopentylethanone
CID 124835824
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(2-methoxyethylamino)ethanone
CID 78914134
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 119792047
methyl (3S)-4-[(2R,3aR,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-4-oxobutanoate
CID 97023124
N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide
CID 71869588
1-[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-methylpropan-1-one
CID 58649190
2-(2-methoxyethylamino)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 119851436
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride
CID 119766819

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride (CID 119784924) is 2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride is COCCNCC(=O)N1C(C)CC2CCCCC21.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride?
The InChIKey is YSJYNKVYYVBTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-11-9-12-5-3-4-6-13(12)16(11)14(17)10-15-7-8-18-2;/h11-13,15H,3-10H2,1-2H3;1H.
What are the key properties of 2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride?
2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride has a molecular weight of 290.84 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119784924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).