Molecule

ID:33567

General Information
Structure
Molecular Formula
C₆H₁₅NO
Molecular Mass
117.1894
Exact Mass
117.11536411
Charge
0
InChI
InChI=1S/C6H15NO/c1-4-6(5-8)7(2)3/h6,8H,4-5H2,1-3H3
InChIKey
LUWCDIUTGJVEQX-UHFFFAOYSA-N
Canonic Smiles
CCC(N(C)C)CO
Isomeric Smiles
N(C(CO)CC)(C)C
Calculated Properties
JChem
Acid pKa
15.114365
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9462903
LogD (pH = 7.4)
-1.6621616
Log P
0.43916488
Molar Refractivity
35.2232
Polarizability
13.926987
Polar Surface Area
23.47
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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