3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride

C69H85Br3ClN11O3S — CID 161120030

IUPAC3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)C(=O)CCc1c[nH]c2ccc(Br)cc12.CN(C)CCCc1c[nH]c2ccc(Br)cc12.CN(C)CCCc1c[nH]c2ccc(N)cc12.Cl.O=C(O)CCc1c[nH]c2ccc(Br)cc12.[H]/N=C(/Cc1ccc2[nH]cc(CCCN(C)C)c2c1)c1cccs1
InChIInChI=1S/C19H23N3S.C13H15BrN2O.C13H17BrN2.C13H19N3.C11H10BrNO2.ClH/c1-22(2)9-3-5-15-13-21-18-8-7-14(11-16(15)18)12-17(20)19-6-4-10-23-19;1-16(2)13(17)6-3-9-8-15-12-5-4-10(14)7-11(9)12;2*1-16(2)7-3-4-10-9-15-13-6-5-11(14)8-12(10)13;12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15;/h4,6-8,10-11,13,20-21H,3,5,9,12H2,1-2H3;4-5,7-8,15H,3,6H2,1-2H3;5-6,8-9,15H,3-4,7H2,1-2H3;5-6,8-9,15H,3-4,7,14H2,1-2H3;2-3,5-6,13H,1,4H2,(H,14,15);1H/b20-17-;;;;;
InChIKeyILITXJXXARFRMU-JAOCJLDRSA-N
MW1423.74 g/mol
LogP16.32
Rot. Bonds21

About 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride

3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 161120030) has the molecular formula C69H85Br3ClN11O3S and a molecular weight of 1423.74 g/mol. Its IUPAC name is 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID161120030
Molecular FormulaC69H85Br3ClN11O3S
Molecular Weight1423.74 g/mol
Exact Mass1419.38
IUPAC Name3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)C(=O)CCc1c[nH]c2ccc(Br)cc12.CN(C)CCCc1c[nH]c2ccc(Br)cc12.CN(C)CCCc1c[nH]c2ccc(N)cc12.Cl.O=C(O)CCc1c[nH]c2ccc(Br)cc12.[H]/N=C(/Cc1ccc2[nH]cc(CCCN(C)C)c2c1)c1cccs1
InChIInChI=1S/C19H23N3S.C13H15BrN2O.C13H17BrN2.C13H19N3.C11H10BrNO2.ClH/c1-22(2)9-3-5-15-13-21-18-8-7-14(11-16(15)18)12-17(20)19-6-4-10-23-19;1-16(2)13(17)6-3-9-8-15-12-5-4-10(14)7-11(9)12;2*1-16(2)7-3-4-10-9-15-13-6-5-11(14)8-12(10)13;12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15;/h4,6-8,10-11,13,20-21H,3,5,9,12H2,1-2H3;4-5,7-8,15H,3,6H2,1-2H3;5-6,8-9,15H,3-4,7H2,1-2H3;5-6,8-9,15H,3-4,7,14H2,1-2H3;2-3,5-6,13H,1,4H2,(H,14,15);1H/b20-17-;;;;;
InChIKeyILITXJXXARFRMU-JAOCJLDRSA-N
XLogP16.32
TPSA196.15 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001423.74
LogP ≤ 516.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride with MolForge

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Related Compounds

3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
tert-butyl 4-(5-amino-1H-indol-3-yl)piperidine-1-carboxylate;bis(tert-butyl 4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]piperidine-1-carboxylate);methyl thiophene-2-carboximidothioate
CID 123634958
1-(5-bromo-1H-indol-3-yl)hexan-3-imine
CID 174643516
2-(5-amino-1H-indol-3-yl)acetic acid
CID 24974925
3-[5-[2-[[(4-bromo-2-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]-1H-indol-3-yl]propanoic acid
CID 121438297
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 58415976
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
3-(5-bromo-1H-indol-3-yl)-2-methylpropanoic acid
CID 58572126
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 121221172
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride (CID 161120030) is 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)C(=O)CCc1c[nH]c2ccc(Br)cc12.CN(C)CCCc1c[nH]c2ccc(Br)cc12.CN(C)CCCc1c[nH]c2ccc(N)cc12.Cl.O=C(O)CCc1c[nH]c2ccc(Br)cc12.[H]/N=C(/Cc1ccc2[nH]cc(CCCN(C)C)c2c1)c1cccs1.
What is the InChIKey of 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is ILITXJXXARFRMU-JAOCJLDRSA-N. The full InChI is InChI=1S/C19H23N3S.C13H15BrN2O.C13H17BrN2.C13H19N3.C11H10BrNO2.ClH/c1-22(2)9-3-5-15-13-21-18-8-7-14(11-16(15)18)12-17(20)19-6-4-10-23-19;1-16(2)13(17)6-3-9-8-15-12-5-4-10(14)7-11(9)12;2*1-16(2)7-3-4-10-9-15-13-6-5-11(14)8-12(10)13;12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15;/h4,6-8,10-11,13,20-21H,3,5,9,12H2,1-2H3;4-5,7-8,15H,3,6H2,1-2H3;5-6,8-9,15H,3-4,7H2,1-2H3;5-6,8-9,15H,3-4,7,14H2,1-2H3;2-3,5-6,13H,1,4H2,(H,14,15);1H/b20-17-;;;;;.
What are the key properties of 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride?
3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 1423.74 g/mol, XLogP of 16.32, 21 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine;3-(5-bromo-1H-indol-3-yl)propanoic acid;3-[3-(dimethylamino)propyl]-1H-indol-5-amine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 161120030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).