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41805-50-9 molecular structure
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methyl({[1-(piperidin-1-yl)cyclohexyl]methyl})amine

ChemBase ID: 33562
Molecular Formular: C13H26N2
Molecular Mass: 210.35894
Monoisotopic Mass: 210.20959884
SMILES and InChIs

SMILES:
N1(C2(CNC)CCCCC2)CCCCC1
Canonical SMILES:
CNCC1(CCCCC1)N1CCCCC1
InChI:
InChI=1S/C13H26N2/c1-14-12-13(8-4-2-5-9-13)15-10-6-3-7-11-15/h14H,2-12H2,1H3
InChIKey:
YVTRGSINXCANDK-UHFFFAOYSA-N

Cite this record

CBID:33562 http://www.chembase.cn/molecule-33562.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl({[1-(piperidin-1-yl)cyclohexyl]methyl})amine
IUPAC Traditional name
methyl({[1-(piperidin-1-yl)cyclohexyl]methyl})amine
Synonyms
N-methyl-1-(1-piperidin-1-ylcyclohexyl)methanamine
N-Methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]-amine
CAS Number
41805-50-9
MDL Number
MFCD05864490
PubChem SID
160996869
PubChem CID
21409890

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21409890 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0626454  LogD (pH = 7.4) -0.6174972 
Log P 2.3991714  Molar Refractivity 65.7583 cm3
Polarizability 26.303617 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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