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Molecule
ID:24446
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₁H₂₄N₂
Molecular Mass
184.32166
Exact Mass
184.19394878
Charge
0
InChI
InChI=1S/C11H24N2/c1-3-12-7-4-8-13-9-5-11(2)6-10-13/h11-12H,3-10H2,1-2H3
InChIKey
TZQWHHGMSDUZAJ-UHFFFAOYSA-N
Canonic Smiles
CCNCCCN1CCC(CC1)C
Isomeric Smiles
N1(CCC(CC1)C)CCCNCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.582563
LogD (pH = 7.4)
-2.5065994
Log P
1.3799189
Molar Refractivity
59.0171
Polarizability
23.35114
Polar Surface Area
15.27
Rotatable Bonds
5
Lipinski's Rule of Five
true
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Molecule Details
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Data Source
Commercial Catalog
Matrix Scientific
026951
Academic Data
PubChem
28307129
Names and Identifiers
Synonyms
N-Ethyl-3-(4-methyl-1-piperidinyl)-1-propanamine
IUPAC Traditional name
ethyl[3-(4-methylpiperidin-1-yl)propyl]amine
IUPAC name
ethyl[3-(4-methylpiperidin-1-yl)propyl]amine
Registration numbers
PubChem CID
28307129
PubChem SID
160987753
MDL Number
MFCD10687335
Properties
Safety Information
MSDS Link
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Source
TSCA Listed
false
Source
Storage Warning
IRRITANT
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay