Molecule

ID:61595

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₂
Molecular Mass
214.30458
Exact Mass
214.16812795
Charge
0
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9+/m0/s1
InChIKey
AKVIZYGPJIWKOS-DTWKUNHWSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@@H]1CCCC[C@@H]1N
Isomeric Smiles
C(=O)(N[C@H]1[C@@H](N)CCCC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.93918
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5006162
LogD (pH = 7.4)
-0.5369859
Log P
1.4841237
Molar Refractivity
58.825
Polarizability
23.692034
Polar Surface Area
64.35
Rotatable Bonds
3
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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