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

3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoic acid
CID 86718979
N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
CID 118109462
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
CID 146535745
N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine
CID 146227897
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
CID 146673229
(4S)-5-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-5-oxopentanoic acid
CID 118121238
3-[2-[2-[[1-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoyl]piperidin-4-yl]amino]ethoxy]ethoxy]propanoic acid
CID 138744679
(4S)-4-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-5-oxo-5-[2-[2-[2-(pentacosanoylamino)ethoxy]ethoxy]ethylamino]pentanoic acid
CID 155184065
(2S)-N'-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide;methane
CID 159120542
4-(2-naphthalen-2-ylindol-1-yl)butan-2-one
CID 11370420
CID 174007402
CID 174007402
4-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-5-[2-[2-[3-[methyl(1-oxopropan-2-yl)amino]-3-oxopropoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 175745631

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).