Home > Compound List > Compound details
883521-63-9 molecular structure
click picture or here to close

(1-cyclopentylpiperidin-3-yl)methanamine

ChemBase ID: 15755
Molecular Formular: C11H22N2
Molecular Mass: 182.30578
Monoisotopic Mass: 182.17829871
SMILES and InChIs

SMILES:
N1(CC(CCC1)CN)C1CCCC1
Canonical SMILES:
NCC1CCCN(C1)C1CCCC1
InChI:
InChI=1S/C11H22N2/c12-8-10-4-3-7-13(9-10)11-5-1-2-6-11/h10-11H,1-9,12H2
InChIKey:
ZLTWPPIYKFZCGN-UHFFFAOYSA-N

Cite this record

CBID:15755 http://www.chembase.cn/molecule-15755.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-cyclopentylpiperidin-3-yl)methanamine
IUPAC Traditional name
(1-cyclopentylpiperidin-3-yl)methanamine
Synonyms
[(1-Cyclopentylpiperidin-3-yl)methyl]amine
1-(1-cyclopentyl-3-piperidinyl)methanamine
CAS Number
883521-63-9
MDL Number
MFCD06800492
PubChem SID
160979062
PubChem CID
23004735

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23004735 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.7551184  LogD (pH = 7.4) -2.8365686 
Log P 1.2582066  Molar Refractivity 56.5023 cm3
Polarizability 22.610828 Å3 Polar Surface Area 29.26 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle