2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C17H25N3O — CID 115486453

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1CC(CN)CN1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C17H25N3O/c1-12-7-14(9-18)10-19(12)11-17(21)20-13(2)8-15-5-3-4-6-16(15)20/h3-6,12-14H,7-11,18H2,1-2H3
InChIKeyNWTIAQARRIOZPV-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.63
Rot. Bonds3

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 115486453) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID115486453
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1CC(CN)CN1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C17H25N3O/c1-12-7-14(9-18)10-19(12)11-17(21)20-13(2)8-15-5-3-4-6-16(15)20/h3-6,12-14H,7-11,18H2,1-2H3
InChIKeyNWTIAQARRIOZPV-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)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

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 115486415
2-(3-aminopyrrolidin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 62068343
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119925901
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
2-[3-hydroxybutyl(methyl)amino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 115665888
4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 103154159
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 115486453) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1CC(CN)CN1CC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is NWTIAQARRIOZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-7-14(9-18)10-19(12)11-17(21)20-13(2)8-15-5-3-4-6-16(15)20/h3-6,12-14H,7-11,18H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 287.41 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 115486453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).