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639078-61-8 molecular structure
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methyl[(1-methylpiperidin-3-yl)methyl]amine

ChemBase ID: 15759
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
N1(CC(CCC1)CNC)C
Canonical SMILES:
CNCC1CCCN(C1)C
InChI:
InChI=1S/C8H18N2/c1-9-6-8-4-3-5-10(2)7-8/h8-9H,3-7H2,1-2H3
InChIKey:
OUBNEVZXIXKNJE-UHFFFAOYSA-N

Cite this record

CBID:15759 http://www.chembase.cn/molecule-15759.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[(1-methylpiperidin-3-yl)methyl]amine
IUPAC Traditional name
methyl[(1-methylpiperidin-3-yl)methyl]amine
Synonyms
N-Methyl-1-(1-methylpiperidin-3-yl)methanamine
methyl[(1-methylpiperidin-3-yl)methyl]amine
N-methyl-(1-methylpiperid-3-yl)methylamine
CAS Number
639078-61-8
MDL Number
MFCD05864531
PubChem SID
160979066
PubChem CID
16640588

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.487943  LogD (pH = 7.4) -3.4202027 
Log P 0.33608514  Molar Refractivity 44.8637 cm3
Polarizability 17.811394 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.011 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
90% expand Show data source
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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