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5763-55-3 molecular structure
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2-cyclopentylethan-1-amine

ChemBase ID: 18033
Molecular Formular: C7H15N
Molecular Mass: 113.2007
Monoisotopic Mass: 113.12044949
SMILES and InChIs

SMILES:
NCCC1CCCC1
Canonical SMILES:
NCCC1CCCC1
InChI:
InChI=1S/C7H15N/c8-6-5-7-3-1-2-4-7/h7H,1-6,8H2
InChIKey:
UKPLRVAKKXWITN-UHFFFAOYSA-N

Cite this record

CBID:18033 http://www.chembase.cn/molecule-18033.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-cyclopentylethan-1-amine
IUPAC Traditional name
2-cyclopentylethanamine
Synonyms
2-Cyclopentyl-ethylamine
2-cyclopentylethanamine
(2-cyclopentylethyl)amine
CAS Number
5763-55-3
MDL Number
MFCD00058672
PubChem SID
160981340
PubChem CID
5305650

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) -1.1881957  Log P 1.4108707 
Molar Refractivity 35.7408 cm3 Polarizability 14.445701 Å3
Polar Surface Area 26.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -1.6129458 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.956 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
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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