2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone

C14H21N3O — CID 81493095

IUPAC2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCN(CCCN)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H21N3O/c1-16(9-4-8-15)11-14(18)17-10-7-12-5-2-3-6-13(12)17/h2-3,5-6H,4,7-11,15H2,1H3
InChIKeyBWZXXCOYDBZISK-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.86
Rot. Bonds5

About 2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone

2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 81493095) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID81493095
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCN(CCCN)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H21N3O/c1-16(9-4-8-15)11-14(18)17-10-7-12-5-2-3-6-13(12)17/h2-3,5-6H,4,7-11,15H2,1H3
InChIKeyBWZXXCOYDBZISK-UHFFFAOYSA-N
XLogP0.86
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
2-[3-aminopropyl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 81493173
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide
CID 108526757
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 111858977
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108531260
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide
CID 113153451
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 51260991
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
CID 119315166

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone (CID 81493095) is 2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone is CN(CCCN)CC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is BWZXXCOYDBZISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(9-4-8-15)11-14(18)17-10-7-12-5-2-3-6-13(12)17/h2-3,5-6H,4,7-11,15H2,1H3.
What are the key properties of 2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 81493095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).