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64306-77-0 molecular structure
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1-(cyclohexylmethyl)piperidin-4-amine

ChemBase ID: 18683
Molecular Formular: C12H24N2
Molecular Mass: 196.33236
Monoisotopic Mass: 196.19394878
SMILES and InChIs

SMILES:
N1(CC2CCCCC2)CCC(CC1)N
Canonical SMILES:
NC1CCN(CC1)CC1CCCCC1
InChI:
InChI=1S/C12H24N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h11-12H,1-10,13H2
InChIKey:
WYDUUQNGNSXLRC-UHFFFAOYSA-N

Cite this record

CBID:18683 http://www.chembase.cn/molecule-18683.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(cyclohexylmethyl)piperidin-4-amine
IUPAC Traditional name
1-(cyclohexylmethyl)piperidin-4-amine
Synonyms
1-(cyclohexylmethyl)piperidin-4-amine
1-Cyclohexylmethyl-piperidin-4-ylamine
CAS Number
64306-77-0
MDL Number
MFCD04118096
PubChem SID
160981990
PubChem CID
6496941

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6496941 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.3090415  LogD (pH = 7.4) -2.3212278 
Log P 1.5156305  Molar Refractivity 61.1149 cm3
Polarizability 24.457176 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.874 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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