1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one

C14H18N2O — CID 168925957

IUPAC1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1cn(C)c2ccc(C)cc12
InChIInChI=1S/C14H18N2O/c1-9-5-6-13-11(7-9)12(8-16(13)4)14(17)10(2)15-3/h5-8,10,15H,1-4H3
InChIKeyLQTKRNKMVLSVDH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.28
Rot. Bonds3

About 1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one

1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one (PubChem CID 168925957) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one
PubChem CID168925957
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1cn(C)c2ccc(C)cc12
InChIInChI=1S/C14H18N2O/c1-9-5-6-13-11(7-9)12(8-16(13)4)14(17)10(2)15-3/h5-8,10,15H,1-4H3
InChIKeyLQTKRNKMVLSVDH-UHFFFAOYSA-N
XLogP2.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-iodo-1-methylindol-3-yl)-2-(methylamino)propan-1-one
CID 162765683
N,1,5-trimethylindole-3-carboxamide
CID 25149961
1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765617
1,5-dimethylindole-3-carboxamide
CID 119084556
2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one
CID 162765604
cyclopropyl-(1,5-dimethylindol-3-yl)methanone
CID 82278819
1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone
CID 103513702
1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one
CID 82278783
2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one
CID 82288926
(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone
CID 82499713
3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole
CID 138983603
1,5-dimethylindole-3-carbaldehyde
CID 1419073

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one (CID 168925957) is 1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one is CNC(C)C(=O)c1cn(C)c2ccc(C)cc12.
What is the InChIKey of 1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one?
The InChIKey is LQTKRNKMVLSVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-5-6-13-11(7-9)12(8-16(13)4)14(17)10(2)15-3/h5-8,10,15H,1-4H3.
What are the key properties of 1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one?
1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one has a molecular weight of 230.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 168925957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).