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MFCD09048840 molecular structure
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N-cyclopropylcyclopentanamine

ChemBase ID: 255094
Molecular Formular: C8H15N
Molecular Mass: 125.2114
Monoisotopic Mass: 125.12044949
SMILES and InChIs

SMILES:
C1(CC1)NC1CCCC1
Canonical SMILES:
C1CCC(C1)NC1CC1
InChI:
InChI=1S/C8H15N/c1-2-4-7(3-1)9-8-5-6-8/h7-9H,1-6H2
InChIKey:
LJLXEGAYCJQFGB-UHFFFAOYSA-N

Cite this record

CBID:255094 http://www.chembase.cn/molecule-255094.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopropylcyclopentanamine
IUPAC Traditional name
N-cyclopropylcyclopentanamine
Synonyms
N-cyclopentyl-N-cyclopropylamine
MDL Number
MFCD09048840
PubChem SID
164311004
PubChem CID
16776396

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-31207 external link Add to cart Please log in.
Data Source Data ID
PubChem 16776396 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6055832  LogD (pH = 7.4) -1.1879435 
Log P 1.6273879  Molar Refractivity 38.3178 cm3
Polarizability 15.551486 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.308 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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