2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one

C14H18N2O — CID 82288926

IUPAC2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one
SMILESCCC(NC)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-4-12(15-2)14(17)11-9-16(3)13-8-6-5-7-10(11)13/h5-9,12,15H,4H2,1-3H3
InChIKeyOBTKKOYKVFXKSX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.36
Rot. Bonds4

About 2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one

2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one (PubChem CID 82288926) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one
PubChem CID82288926
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one
SMILESCCC(NC)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-4-12(15-2)14(17)11-9-16(3)13-8-6-5-7-10(11)13/h5-9,12,15H,4H2,1-3H3
InChIKeyOBTKKOYKVFXKSX-UHFFFAOYSA-N
XLogP2.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
1-(1,2-dimethylindol-3-yl)-2-(methylamino)butan-1-one
CID 82294421
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide
CID 18385421
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009
1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765617
ethyl 3-(1-methylindol-3-yl)-3-oxo-2-phenylpropanoate
CID 132558109
1-methylindole-3-carbothioic S-acid
CID 116918837
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765541
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
CID 9227848
2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one?
The IUPAC name of 2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one (CID 82288926) is 2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one.
What is the SMILES notation for 2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one?
The canonical SMILES for 2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one is CCC(NC)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one?
The InChIKey is OBTKKOYKVFXKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-12(15-2)14(17)11-9-16(3)13-8-6-5-7-10(11)13/h5-9,12,15H,4H2,1-3H3.
What are the key properties of 2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one?
2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one has a molecular weight of 230.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one is sourced from PubChem (CID 82288926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).