1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one

C16H22N2O — CID 162765617

IUPAC1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one
SMILESCCNC(CC)C(=O)c1cn(C)c2ccc(C)cc12
InChIInChI=1S/C16H22N2O/c1-5-14(17-6-2)16(19)13-10-18(4)15-8-7-11(3)9-12(13)15/h7-10,14,17H,5-6H2,1-4H3
InChIKeyBEQZBNFCHRBUGO-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.06
Rot. Bonds5

About 1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one

1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one (PubChem CID 162765617) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one.

Molecular Properties

Compound Name1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one
PubChem CID162765617
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one
SMILESCCNC(CC)C(=O)c1cn(C)c2ccc(C)cc12
InChIInChI=1S/C16H22N2O/c1-5-14(17-6-2)16(19)13-10-18(4)15-8-7-11(3)9-12(13)15/h7-10,14,17H,5-6H2,1-4H3
InChIKeyBEQZBNFCHRBUGO-UHFFFAOYSA-N
XLogP3.06
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765541
1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one
CID 168925957
2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one
CID 162765495
2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one
CID 162765604
2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one
CID 82288926
N,1,5-trimethylindole-3-carboxamide
CID 25149961
1,5-dimethylindole-3-carboxamide
CID 119084556
2-(ethylamino)-1-(4-methylphenyl)butan-1-one
CID 91698934
1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one
CID 82278783
cyclopropyl-(1,5-dimethylindol-3-yl)methanone
CID 82278819
1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone
CID 103513702
ethyl 2-(1,5-dimethylindol-3-yl)acetate
CID 84740898

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one?
The IUPAC name of 1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one (CID 162765617) is 1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one.
What is the SMILES notation for 1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one?
The canonical SMILES for 1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one is CCNC(CC)C(=O)c1cn(C)c2ccc(C)cc12.
What is the InChIKey of 1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one?
The InChIKey is BEQZBNFCHRBUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-14(17-6-2)16(19)13-10-18(4)15-8-7-11(3)9-12(13)15/h7-10,14,17H,5-6H2,1-4H3.
What are the key properties of 1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one?
1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one has a molecular weight of 258.36 g/mol, XLogP of 3.06, 5 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-(ethylamino)butan-1-one is sourced from PubChem (CID 162765617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).