1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone

C15H22N2O — CID 82102357

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
SMILESCCCCCNCC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O/c1-2-3-4-8-16-11-15(18)13-5-6-14-12(10-13)7-9-17-14/h5-6,10,16-17H,2-4,7-9,11H2,1H3
InChIKeyKMAZTKTVYOYOLY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.62
Rot. Bonds7

About 1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone

1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone (PubChem CID 82102357) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
PubChem CID82102357
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
SMILESCCCCCNCC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O/c1-2-3-4-8-16-11-15(18)13-5-6-14-12(10-13)7-9-17-14/h5-6,10,16-17H,2-4,7-9,11H2,1H3
InChIKeyKMAZTKTVYOYOLY-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone 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-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone
CID 82102369
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101388
2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257753
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
1-(2,3-dihydro-1H-indol-5-yl)-2-(furan-2-ylmethylamino)ethanone
CID 82102355
1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
CID 116554160
N-butyl-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142468
2-(cyclohexylamino)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 82257913

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone (CID 82102357) is 1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone is CCCCCNCC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone?
The InChIKey is KMAZTKTVYOYOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-4-8-16-11-15(18)13-5-6-14-12(10-13)7-9-17-14/h5-6,10,16-17H,2-4,7-9,11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone?
1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone is sourced from PubChem (CID 82102357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).