Molecule
ID:16502
General Information
Molecular Formula
C₆H₁₅NO
Molecular Mass
117.1894
Exact Mass
117.11536411
Charge
0
InChI
InChI=1S/C6H15NO/c1-5(8)4-6(2,3)7/h5,8H,4,7H2,1-3H3
InChIKey
GZTKJFBKAZBXIB-UHFFFAOYSA-N
Canonic Smiles
CC(CC(N)(C)C)O
Isomeric Smiles
C(CC(C)O)(C)(C)N
Calculated Properties
JChem
Acid pKa
15.606209
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.1674752
LogD (pH = 7.4)
-2.7975137
Log P
-0.14187442
Molar Refractivity
34.5523
Polarizability
13.926987
Polar Surface Area
46.25
Rotatable Bonds
2
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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