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884504-74-9 molecular structure
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[(1-ethylpyrrolidin-3-yl)methyl](methyl)amine

ChemBase ID: 58147
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
C1C(CCN1CC)CNC
Canonical SMILES:
CNCC1CCN(C1)CC
InChI:
InChI=1S/C8H18N2/c1-3-10-5-4-8(7-10)6-9-2/h8-9H,3-7H2,1-2H3
InChIKey:
SYDGCOCEWURBCU-UHFFFAOYSA-N

Cite this record

CBID:58147 http://www.chembase.cn/molecule-58147.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(1-ethylpyrrolidin-3-yl)methyl](methyl)amine
IUPAC Traditional name
[(1-ethylpyrrolidin-3-yl)methyl](methyl)amine
Synonyms
[(1-Ethylpyrrolidin-3-yl)methyl]methylamine
1-(1-ethylpyrrolidin-3-yl)-N-methylmethanamine
CAS Number
884504-74-9
MDL Number
MFCD05864495
PubChem SID
162062910
PubChem CID
17998752

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17998752 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.873935  LogD (pH = 7.4) -3.854477 
Log P 0.24832442  Molar Refractivity 45.0113 cm3
Polarizability 17.811394 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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