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86010-41-5 molecular structure
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methyl[3-(piperidin-1-yl)propyl]amine

ChemBase ID: 16955
Molecular Formular: C9H20N2
Molecular Mass: 156.2685
Monoisotopic Mass: 156.16264865
SMILES and InChIs

SMILES:
N1(CCCNC)CCCCC1
Canonical SMILES:
CNCCCN1CCCCC1
InChI:
InChI=1S/C9H20N2/c1-10-6-5-9-11-7-3-2-4-8-11/h10H,2-9H2,1H3
InChIKey:
XQESRORWDXYILU-UHFFFAOYSA-N

Cite this record

CBID:16955 http://www.chembase.cn/molecule-16955.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[3-(piperidin-1-yl)propyl]amine
IUPAC Traditional name
methyl[3-(piperidin-1-yl)propyl]amine
Synonyms
N-methyl-3-piperidin-1-ylpropan-1-amine
Methyl-(3-piperidin-1-yl-propyl)-amine
CAS Number
86010-41-5
MDL Number
MFCD07186366
PubChem SID
160980262
PubChem CID
409699

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 409699 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.250197  LogD (pH = 7.4) -3.146526 
Log P 0.7360919  Molar Refractivity 49.7199 cm3
Polarizability 19.657892 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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