Molecule

ID:134758

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₂O
Molecular Mass
171.25996
Exact Mass
171.14973824
Charge
0
InChI
InChI=1S/C9H19N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7H,5-6,10H2,1-4H3
InChIKey
XUXUHDYTLNCYQQ-UHFFFAOYSA-N
Canonic Smiles
NC1CC(C)(C)N(C(C1)(C)C)[O]
Isomeric Smiles
C1C(CC(N(C1(C)C)[O])(C)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9106998
LogD (pH = 7.4)
-2.5692089
Log P
0.11574029
Molar Refractivity
48.8321
Polarizability
19.823294
Polar Surface Area
29.26
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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