1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one

C16H22N2O — CID 82300709

IUPAC1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one
SMILESCNC(C(=O)c1c(C)n(C)c2ccccc12)C(C)C
InChIInChI=1S/C16H22N2O/c1-10(2)15(17-4)16(19)14-11(3)18(5)13-9-7-6-8-12(13)14/h6-10,15,17H,1-5H3
InChIKeySJSTYRLHSZAYCY-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.91
Rot. Bonds4

About 1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one

1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one (PubChem CID 82300709) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one
PubChem CID82300709
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one
SMILESCNC(C(=O)c1c(C)n(C)c2ccccc12)C(C)C
InChIInChI=1S/C16H22N2O/c1-10(2)15(17-4)16(19)14-11(3)18(5)13-9-7-6-8-12(13)14/h6-10,15,17H,1-5H3
InChIKeySJSTYRLHSZAYCY-UHFFFAOYSA-N
XLogP2.91
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2-dimethylindol-3-yl)-2-(methylamino)butan-1-one
CID 82294421
1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 82294422
2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid
CID 82475185
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705
N-(3-acetamidophenyl)-1,2-dimethylindole-3-carboxamide
CID 110762600
methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
CID 110803299
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one
CID 110180074
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
N'-amino-1,2-dimethylindole-3-carboximidamide
CID 83532039
(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one?
The IUPAC name of 1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one (CID 82300709) is 1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one.
What is the SMILES notation for 1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one?
The canonical SMILES for 1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one is CNC(C(=O)c1c(C)n(C)c2ccccc12)C(C)C.
What is the InChIKey of 1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one?
The InChIKey is SJSTYRLHSZAYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10(2)15(17-4)16(19)14-11(3)18(5)13-9-7-6-8-12(13)14/h6-10,15,17H,1-5H3.
What are the key properties of 1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one?
1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one is sourced from PubChem (CID 82300709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).