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6241-30-1 molecular structure
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3-(4-methylpiperidin-1-yl)propan-1-amine

ChemBase ID: 11547
Molecular Formular: C9H20N2
Molecular Mass: 156.2685
Monoisotopic Mass: 156.16264865
SMILES and InChIs

SMILES:
N1(CCC(CC1)C)CCCN
Canonical SMILES:
NCCCN1CCC(CC1)C
InChI:
InChI=1S/C9H20N2/c1-9-3-7-11(8-4-9)6-2-5-10/h9H,2-8,10H2,1H3
InChIKey:
KJZUUHBRCBCMNK-UHFFFAOYSA-N

Cite this record

CBID:11547 http://www.chembase.cn/molecule-11547.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-methylpiperidin-1-yl)propan-1-amine
IUPAC Traditional name
3-(4-methylpiperidin-1-yl)propan-1-amine
Synonyms
3-(4-Methyl-piperidin-1-yl)-propylamine
3-(4-methyl-1-piperidinyl)-1-propanamine
3-(4-methylpiperidin-1-yl)propan-1-amine
CAS Number
6241-30-1
MDL Number
MFCD00129008
PubChem SID
160974854
PubChem CID
3149264

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3149264 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.16457  LogD (pH = 7.4) -3.064359 
Log P 0.59053063  Molar Refractivity 49.4939 cm3
Polarizability 19.657892 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)
1.487 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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