Molecule

ID:24428

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O
Molecular Mass
158.24132
Exact Mass
158.14191321
Charge
0
InChI
InChI=1S/C8H18N2O/c1-8(2,3)10-6-5-7(11)9-4/h10H,5-6H2,1-4H3,(H,9,11)
InChIKey
BYXWOEOSOZHQLW-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCNC(C)(C)C
Isomeric Smiles
C(=O)(CCNC(C)(C)C)NC
Calculated Properties
JChem
Acid pKa
16.606031
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.2195826
LogD (pH = 7.4)
-2.4302979
Log P
-0.0071893274
Molar Refractivity
46.0019
Polarizability
18.198185
Polar Surface Area
41.13
Rotatable Bonds
4
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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