2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride

C16H24ClN3O — CID 166467543

IUPAC2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
SMILESCN(C)CCc1cn(C(=O)CN(C)C)c2ccccc12.Cl
InChIInChI=1S/C16H23N3O.ClH/c1-17(2)10-9-13-11-19(16(20)12-18(3)4)15-8-6-5-7-14(13)15;/h5-8,11H,9-10,12H2,1-4H3;1H
InChIKeyAEPMASHTYQSBOF-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.37
Rot. Bonds5

About 2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride

2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride (PubChem CID 166467543) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
PubChem CID166467543
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
SMILESCN(C)CCc1cn(C(=O)CN(C)C)c2ccccc12.Cl
InChIInChI=1S/C16H23N3O.ClH/c1-17(2)10-9-13-11-19(16(20)12-18(3)4)15-8-6-5-7-14(13)15;/h5-8,11H,9-10,12H2,1-4H3;1H
InChIKeyAEPMASHTYQSBOF-UHFFFAOYSA-N
XLogP2.37
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-4-oxobutanoate
CID 166467362
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]hexadecan-1-one
CID 166138506
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]octadecan-1-one
CID 166138351
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467171
[1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate
CID 175590036
propan-2-yloxycarbonyl 3-[2-(dimethylamino)ethyl]indole-1-carboperoxoate
CID 166467483
3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide
CID 166467769
[2-[4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-2-methyl-4-oxobutan-2-yl]-3,5-dimethylphenyl] 2-methylpropanoate
CID 166467773
6-[[3-[2-(dimethylamino)ethyl]indole-1-carbonyl]oxymethoxy]-6-oxohexanoic acid
CID 166467624
[3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 166467266
[4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-3-methyl-4-oxobutyl] nitrate
CID 168852033
2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid
CID 166467492

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride (CID 166467543) is 2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride is CN(C)CCc1cn(C(=O)CN(C)C)c2ccccc12.Cl.
What is the InChIKey of 2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride?
The InChIKey is AEPMASHTYQSBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.ClH/c1-17(2)10-9-13-11-19(16(20)12-18(3)4)15-8-6-5-7-14(13)15;/h5-8,11H,9-10,12H2,1-4H3;1H.
What are the key properties of 2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride?
2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 166467543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).