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MFCD02184351 molecular structure
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N,N-diethylpyrrolidin-3-amine

ChemBase ID: 270058
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
N1CC(N(CC)CC)CC1
Canonical SMILES:
CCN(C1CNCC1)CC
InChI:
InChI=1S/C8H18N2/c1-3-10(4-2)8-5-6-9-7-8/h8-9H,3-7H2,1-2H3
InChIKey:
XHOADYKJSBCVBJ-UHFFFAOYSA-N

Cite this record

CBID:270058 http://www.chembase.cn/molecule-270058.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethylpyrrolidin-3-amine
IUPAC Traditional name
N,N-diethylpyrrolidin-3-amine
Synonyms
N,N-diethylpyrrolidin-3-amine
MDL Number
MFCD02184351
PubChem SID
164325968
PubChem CID
19961995

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68733 external link Add to cart Please log in.
Data Source Data ID
PubChem 19961995 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.240121  LogD (pH = 7.4) -2.5417979 
Log P 0.48758382  Molar Refractivity 44.7763 cm3
Polarizability 17.811394 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.081 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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