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102459-02-9 molecular structure
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(1-ethylpiperidin-3-yl)methanamine

ChemBase ID: 15754
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
NCC1CN(CCC1)CC
Canonical SMILES:
NCC1CCCN(C1)CC
InChI:
InChI=1S/C8H18N2/c1-2-10-5-3-4-8(6-9)7-10/h8H,2-7,9H2,1H3
InChIKey:
SCANQRLZBOLBQD-UHFFFAOYSA-N

Cite this record

CBID:15754 http://www.chembase.cn/molecule-15754.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-ethylpiperidin-3-yl)methanamine
IUPAC Traditional name
(1-ethylpiperidin-3-yl)methanamine
Synonyms
(1-ethylpiperidin-3-yl)methanamine
[(1-Ethylpiperidin-3-yl)methyl]amine
1-(1-ethylpiperidin-3-yl)methanamine
CAS Number
102459-02-9
MDL Number
MFCD07757606
PubChem SID
160979061
PubChem CID
5200272

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5200272 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.433597  LogD (pH = 7.4) -3.327762 
Log P 0.2603127  Molar Refractivity 44.8377 cm3
Polarizability 17.811394 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.542 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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