Molecule

ID:63103

General Information
Structure
Molecular Formula
C₁₁H₂₂N₂O₂
Molecular Mass
214.30458
Exact Mass
214.16812795
Charge
0
InChI
InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-5-11(4,12)6-8-13/h5-8,12H2,1-4H3
InChIKey
DMBKWEHXTOCLTC-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)(C)N)OC(C)(C)C
Isomeric Smiles
C1(CCN(C(=O)OC(C)(C)C)CC1)(C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4422107
LogD (pH = 7.4)
-2.031007
Log P
0.58206904
Molar Refractivity
59.7085
Polarizability
23.692034
Polar Surface Area
55.56
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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