Molecule
ID:116868
General Information
Molecular Formula
C₁₈H₂₂N₂
Molecular Mass
266.38068
Exact Mass
266.17829871
Charge
0
InChI
InChI=1S/C18H22N2/c1-3-7-16(8-4-1)13-18-15-20(12-11-19-18)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
InChIKey
AJNDRRBUHVZNKU-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN1CCNC(C1)Cc1ccccc1
Isomeric Smiles
N1(CC(NCC1)Cc1ccccc1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.07655038
LogD (pH = 7.4)
1.513392
Log P
3.4516156
Molar Refractivity
84.3939
Polarizability
33.31512
Polar Surface Area
15.27
Rotatable Bonds
4
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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