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60717-49-9 molecular structure
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dimethyl[2-(piperidin-2-yl)ethyl]amine

ChemBase ID: 18617
Molecular Formular: C9H20N2
Molecular Mass: 156.2685
Monoisotopic Mass: 156.16264865
SMILES and InChIs

SMILES:
N1C(CCN(C)C)CCCC1
Canonical SMILES:
CN(CCC1CCCCN1)C
InChI:
InChI=1S/C9H20N2/c1-11(2)8-6-9-5-3-4-7-10-9/h9-10H,3-8H2,1-2H3
InChIKey:
VQWPLEFSACXKNE-UHFFFAOYSA-N

Cite this record

CBID:18617 http://www.chembase.cn/molecule-18617.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl[2-(piperidin-2-yl)ethyl]amine
IUPAC Traditional name
dimethyl[2-(piperidin-2-yl)ethyl]amine
Synonyms
N,N-dimethyl-2-(piperidin-2-yl)ethanamine
dimethyl[2-(piperidin-2-yl)ethyl]amine
Dimethyl-(2-piperidin-2-yl-ethyl)-amine
N,N-dimethyl-2-piperidin-2-ylethanamine
CAS Number
60717-49-9
MDL Number
MFCD00047329
PubChem SID
160981924
PubChem CID
296295

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.9037347  LogD (pH = 7.4) -2.7986066 
Log P 0.795859  Molar Refractivity 49.3901 cm3
Polarizability 19.657892 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.399 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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