4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one

C14H18N2O — CID 116915904

IUPAC4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
SMILESCNCCCC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-10-14(13(17)8-5-9-15-2)11-6-3-4-7-12(11)16-10/h3-4,6-7,15-16H,5,8-9H2,1-2H3
InChIKeyYOMRXUBGOSMRJN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.66
Rot. Bonds5

About 4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one

4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one (PubChem CID 116915904) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
PubChem CID116915904
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
SMILESCNCCCC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-10-14(13(17)8-5-9-15-2)11-6-3-4-7-12(11)16-10/h3-4,6-7,15-16H,5,8-9H2,1-2H3
InChIKeyYOMRXUBGOSMRJN-UHFFFAOYSA-N
XLogP2.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]propanoic acid
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N,2-dimethyl-1H-indole-3-carboxamide
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1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
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CID 804946
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
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CID 170645728
CID 170645728
3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one
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2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
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CID 65154773

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one?
The IUPAC name of 4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one (CID 116915904) is 4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one?
The canonical SMILES for 4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one is CNCCCC(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one?
The InChIKey is YOMRXUBGOSMRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-14(13(17)8-5-9-15-2)11-6-3-4-7-12(11)16-10/h3-4,6-7,15-16H,5,8-9H2,1-2H3.
What are the key properties of 4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one?
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one has a molecular weight of 230.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 116915904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).