1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one

C15H20N2O — CID 170210989

IUPAC1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one
SMILESCCC(NC)C(=O)c1c[nH]c2cc(C)c(C)cc12
InChIInChI=1S/C15H20N2O/c1-5-13(16-4)15(18)12-8-17-14-7-10(3)9(2)6-11(12)14/h6-8,13,16-17H,5H2,1-4H3
InChIKeyBADAELSJQHYFBW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.97
Rot. Bonds4

About 1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one

1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one (PubChem CID 170210989) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one
PubChem CID170210989
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one
SMILESCCC(NC)C(=O)c1c[nH]c2cc(C)c(C)cc12
InChIInChI=1S/C15H20N2O/c1-5-13(16-4)15(18)12-8-17-14-7-10(3)9(2)6-11(12)14/h6-8,13,16-17H,5H2,1-4H3
InChIKeyBADAELSJQHYFBW-UHFFFAOYSA-N
XLogP2.97
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 162765726
1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949
2-(5,6-dimethyl-1H-indol-3-yl)-2-oxoacetaldehyde
CID 174428230
5,6-dimethyl-1H-indole-3-carbonyl chloride
CID 45081910
1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one
CID 170210991
(2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one
CID 169025511
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one
CID 162765535
1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one
CID 112512970
5-fluoro-6-methyl-1H-indole-3-carboxylic acid
CID 118644697
1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one
CID 162765701
1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one
CID 112512244
methyl 6-bromo-5-methyl-1H-indole-3-carboxylate
CID 130049639

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one?
The IUPAC name of 1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one (CID 170210989) is 1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one.
What is the SMILES notation for 1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one?
The canonical SMILES for 1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one is CCC(NC)C(=O)c1c[nH]c2cc(C)c(C)cc12.
What is the InChIKey of 1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one?
The InChIKey is BADAELSJQHYFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-13(16-4)15(18)12-8-17-14-7-10(3)9(2)6-11(12)14/h6-8,13,16-17H,5H2,1-4H3.
What are the key properties of 1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one?
1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one has a molecular weight of 244.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one is sourced from PubChem (CID 170210989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).