Molecule

ID:15744

General Information
Structure
Molecular Formula
C₁₁H₂₂N₂
Molecular Mass
182.30578
Exact Mass
182.17829871
Charge
0
InChI
InChI=1S/C11H22N2/c1-2-8-13(9-3-1)10-11-4-6-12-7-5-11/h11-12H,1-10H2
InChIKey
KQUQJHZJTWYGAQ-UHFFFAOYSA-N
Canonic Smiles
C1CCN(CC1)CC1CCNCC1
Isomeric Smiles
N1CCC(CC1)CN1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.5324454
LogD (pH = 7.4)
-4.1507764
Log P
1.1448945
Molar Refractivity
57.1045
Polarizability
22.610828
Polar Surface Area
15.27
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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