4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one

C15H21N3O — CID 177057739

IUPAC4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one
SMILESCNN(C)Cc1cc2ccccc2n1CCC(C)=O
InChIInChI=1S/C15H21N3O/c1-12(19)8-9-18-14(11-17(3)16-2)10-13-6-4-5-7-15(13)18/h4-7,10,16H,8-9,11H2,1-3H3
InChIKeyOCORMBRNNIBUHL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.19
Rot. Bonds6

About 4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one

4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one (PubChem CID 177057739) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one.

Molecular Properties

Compound Name4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one
PubChem CID177057739
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one
SMILESCNN(C)Cc1cc2ccccc2n1CCC(C)=O
InChIInChI=1S/C15H21N3O/c1-12(19)8-9-18-14(11-17(3)16-2)10-13-6-4-5-7-15(13)18/h4-7,10,16H,8-9,11H2,1-3H3
InChIKeyOCORMBRNNIBUHL-UHFFFAOYSA-N
XLogP2.19
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1H-indole-1-propionamide
CID 88755
3-Carbazol-9-yl-propionic acid hydrazide
CID 2836166
9-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 10997754
1,2,3,4-Tetrahydropyrazino(1,2-a)indole
CID 14595509
N-(1-Methyl-1H-indol-2-ylmethyl)-N-phenylamine
CID 42776886
2-Carbazol-9-ylacetohydrazide
CID 2728342
3-(2-Methyl-1H-indol-1-yl)propanoic acid
CID 3164611
N-[2-(2-phenylindol-1-yl)ethyl]propanamide
CID 10493872
Methyl-(1-methyl-1H-indol-2-ylmethyl)-prop-2-ynyl-amine (FA27)
CID 14196953
N'-acetyl-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanehydrazide
CID 3791031
2-(2-phenyl-1H-indol-1-yl)acetohydrazide
CID 4299324
Cyclohexanecarboxylic acid (1-methyl-1H-indol-2-ylmethyl)-amide
CID 6498693

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one?
The IUPAC name of 4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one (CID 177057739) is 4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one.
What is the SMILES notation for 4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one?
The canonical SMILES for 4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one is CNN(C)Cc1cc2ccccc2n1CCC(C)=O.
What is the InChIKey of 4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one?
The InChIKey is OCORMBRNNIBUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(19)8-9-18-14(11-17(3)16-2)10-13-6-4-5-7-15(13)18/h4-7,10,16H,8-9,11H2,1-3H3.
What are the key properties of 4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one?
4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one is sourced from PubChem (CID 177057739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).