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MFCD15146421 molecular structure
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8-methyl-2-azaspiro[4.5]decane

ChemBase ID: 58150
Molecular Formular: C10H19N
Molecular Mass: 153.26456
Monoisotopic Mass: 153.15174961
SMILES and InChIs

SMILES:
C12(CCNC1)CCC(CC2)C
Canonical SMILES:
CC1CCC2(CC1)CNCC2
InChI:
InChI=1S/C10H19N/c1-9-2-4-10(5-3-9)6-7-11-8-10/h9,11H,2-8H2,1H3
InChIKey:
SGJOFPWLAFWQEP-UHFFFAOYSA-N

Cite this record

CBID:58150 http://www.chembase.cn/molecule-58150.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-methyl-2-azaspiro[4.5]decane
IUPAC Traditional name
8-methyl-2-azaspiro[4.5]decane
Synonyms
8-Methyl-2-azaspiro[4.5]decane
MDL Number
MFCD15146421
PubChem SID
162062913
PubChem CID
46318289

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46318289 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1279263  LogD (pH = 7.4) -1.0426449 
Log P 2.112892  Molar Refractivity 47.6535 cm3
Polarizability 19.244478 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.886 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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