Molecule
ID:31336
General Information
Molecular Formula
C₁₃H₂₂N₂
Molecular Mass
206.32718
Exact Mass
206.17829871
Charge
0
InChI
InChI=1S/C13H22N2/c1-3-15(4-2)11-10-13(14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,14H2,1-2H3
InChIKey
KSAIKFIIHCKXGT-UHFFFAOYSA-N
Canonic Smiles
CCN(CCC(c1ccccc1)N)CC
Isomeric Smiles
C(C(c1ccccc1)N)CN(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.443526
LogD (pH = 7.4)
-1.1811618
Log P
1.9510015
Molar Refractivity
66.5833
Polarizability
26.344486
Polar Surface Area
29.26
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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