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933684-70-9 molecular structure
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dimethyl[2-(piperidin-3-yl)ethyl]amine

ChemBase ID: 50378
Molecular Formular: C9H20N2
Molecular Mass: 156.2685
Monoisotopic Mass: 156.16264865
SMILES and InChIs

SMILES:
N1CC(CCN(C)C)CCC1
Canonical SMILES:
CN(CCC1CCCNC1)C
InChI:
InChI=1S/C9H20N2/c1-11(2)7-5-9-4-3-6-10-8-9/h9-10H,3-8H2,1-2H3
InChIKey:
YSWZWFUGBKCCCN-UHFFFAOYSA-N

Cite this record

CBID:50378 http://www.chembase.cn/molecule-50378.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl[2-(piperidin-3-yl)ethyl]amine
IUPAC Traditional name
dimethyl[2-(piperidin-3-yl)ethyl]amine
Synonyms
N,N-Dimethyl-2-(3-piperidinyl)-1-ethanamine
N,N-dimethyl-2-(3-piperidinyl)ethanamine
CAS Number
933684-70-9
MDL Number
MFCD12827530
PubChem SID
162055141
PubChem CID
21186415

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21186415 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.9230747  LogD (pH = 7.4) -4.4289093 
Log P 0.73909706  Molar Refractivity 49.5635 cm3
Polarizability 19.657892 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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