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720001-91-2 molecular structure
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2-(1-ethylpiperidin-4-yl)ethan-1-amine

ChemBase ID: 282693
Molecular Formular: C9H20N2
Molecular Mass: 156.2685
Monoisotopic Mass: 156.16264865
SMILES and InChIs

SMILES:
N1(CCC(CC1)CCN)CC
Canonical SMILES:
NCCC1CCN(CC1)CC
InChI:
InChI=1S/C9H20N2/c1-2-11-7-4-9(3-6-10)5-8-11/h9H,2-8,10H2,1H3
InChIKey:
UXANJKWCNDPIDE-UHFFFAOYSA-N

Cite this record

CBID:282693 http://www.chembase.cn/molecule-282693.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-ethylpiperidin-4-yl)ethan-1-amine
IUPAC Traditional name
2-(1-ethylpiperidin-4-yl)ethanamine
Synonyms
2-(1-ethylpiperidin-4-yl)ethan-1-amine
2-(1-ethylpiperidin-4-yl)ethanamine
CAS Number
720001-91-2
MDL Number
MFCD08059793
PubChem SID
180668224
PubChem CID
21643902

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21643902 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.85064  LogD (pH = 7.4) -4.23611 
Log P 0.5853709  Molar Refractivity 49.6145 cm3
Polarizability 19.657892 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.071 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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