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MFCD11638194 molecular structure
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2-(6-amino-1H-indol-1-yl)-N,N-dimethylacetamide

ChemBase ID: 280082
Molecular Formular: C12H15N3O
Molecular Mass: 217.267
Monoisotopic Mass: 217.12151212
SMILES and InChIs

SMILES:
n1(c2c(cc1)ccc(c2)N)CC(=O)N(C)C
Canonical SMILES:
Nc1ccc2c(c1)n(cc2)CC(=O)N(C)C
InChI:
InChI=1S/C12H15N3O/c1-14(2)12(16)8-15-6-5-9-3-4-10(13)7-11(9)15/h3-7H,8,13H2,1-2H3
InChIKey:
QUNLGAXZDMMCHQ-UHFFFAOYSA-N

Cite this record

CBID:280082 http://www.chembase.cn/molecule-280082.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(6-amino-1H-indol-1-yl)-N,N-dimethylacetamide
IUPAC Traditional name
2-(6-aminoindol-1-yl)-N,N-dimethylacetamide
Synonyms
2-(6-amino-1H-indol-1-yl)-N,N-dimethylacetamide
MDL Number
MFCD11638194
PubChem SID
180665613
PubChem CID
43308915

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87148 external link Add to cart Please log in.
Data Source Data ID
PubChem 43308915 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5778719  LogD (pH = 7.4) 0.58505833 
Log P 0.5851507  Molar Refractivity 64.4418 cm3
Polarizability 25.250763 Å3 Polar Surface Area 51.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.941 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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