Molecule

ID:91294

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₉N₃
Molecular Mass
227.38946
Exact Mass
227.23614794
Charge
0
InChI
InChI=1S/C13H29N3/c1-3-8-15(9-4-2)10-5-11-16-12-6-14-7-13-16/h14H,3-13H2,1-2H3
InChIKey
INURTONYJXVENS-UHFFFAOYSA-N
Canonic Smiles
CCCN(CCC)CCCN1CCNCC1
Isomeric Smiles
N1(CCNCC1)CCCN(CCC)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.119207
LogD (pH = 7.4)
-3.4169858
Log P
1.4915061
Molar Refractivity
72.1732
Polarizability
28.563572
Polar Surface Area
18.51
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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