2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one

C17H26N2O — CID 82258040

IUPAC2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESCC(C)CCNC(C)C(=O)c1ccc2c(c1)CC(C)N2
InChIInChI=1S/C17H26N2O/c1-11(2)7-8-18-13(4)17(20)14-5-6-16-15(10-14)9-12(3)19-16/h5-6,10-13,18-19H,7-9H2,1-4H3
InChIKeyJAMFJCPOUAYWFS-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.25
Rot. Bonds6

About 2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one

2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one (PubChem CID 82258040) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
PubChem CID82258040
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESCC(C)CCNC(C)C(=O)c1ccc2c(c1)CC(C)N2
InChIInChI=1S/C17H26N2O/c1-11(2)7-8-18-13(4)17(20)14-5-6-16-15(10-14)9-12(3)19-16/h5-6,10-13,18-19H,7-9H2,1-4H3
InChIKeyJAMFJCPOUAYWFS-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258026
3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82032484
2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258024
2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82256439
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one
CID 82256463
2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82256446
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylbutylamino)propan-1-one
CID 82100615
1-(4-chlorophenyl)-2-(3-methylbutylamino)propan-1-one
CID 82100428
1-(4-tert-butylphenyl)-2-(3-methylbutylamino)propan-1-one
CID 82100653
cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
CID 82032485
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone
CID 82097094
2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone
CID 82256396

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The IUPAC name of 2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one (CID 82258040) is 2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one.
What is the SMILES notation for 2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The canonical SMILES for 2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one is CC(C)CCNC(C)C(=O)c1ccc2c(c1)CC(C)N2.
What is the InChIKey of 2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The InChIKey is JAMFJCPOUAYWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11(2)7-8-18-13(4)17(20)14-5-6-16-15(10-14)9-12(3)19-16/h5-6,10-13,18-19H,7-9H2,1-4H3.
What are the key properties of 2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one is sourced from PubChem (CID 82258040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).