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387358-48-7 molecular structure
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N-cyclopropyl-1-methylpiperidin-4-amine

ChemBase ID: 10238
Molecular Formular: C9H18N2
Molecular Mass: 154.25262
Monoisotopic Mass: 154.14699859
SMILES and InChIs

SMILES:
C1C(CCN(C1)C)NC1CC1
Canonical SMILES:
CN1CCC(CC1)NC1CC1
InChI:
InChI=1S/C9H18N2/c1-11-6-4-9(5-7-11)10-8-2-3-8/h8-10H,2-7H2,1H3
InChIKey:
BJWQVPXVPMEZBB-UHFFFAOYSA-N

Cite this record

CBID:10238 http://www.chembase.cn/molecule-10238.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopropyl-1-methylpiperidin-4-amine
IUPAC Traditional name
N-cyclopropyl-1-methylpiperidin-4-amine
Synonyms
4-Cyclopropylamino-1-methylpiperidine
N-Cyclopropyl-1-methylpiperidin-4-amine
4-(Cyclopropylamino)-1-methylpiperidine
CAS Number
387358-48-7
MDL Number
MFCD01941329
PubChem SID
160973545
PubChem CID
2735901

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2735901 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.696687  LogD (pH = 7.4) -2.7191644 
Log P 0.29949218  Molar Refractivity 47.3557 cm3
Polarizability 18.918522 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
36°C/0.037mm expand Show data source
36°C/0.05mm 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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