Molecule

ID:110976

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉N
Molecular Mass
129.24316
Exact Mass
129.15174961
Charge
0
InChI
InChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3
InChIKey
QIJIUJYANDSEKG-UHFFFAOYSA-N
Canonic Smiles
CC(CC(N)(C)C)(C)C
Isomeric Smiles
CC(C)(C)CC(C)(C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0471646
LogD (pH = 7.4)
-0.845113
Log P
1.982658
Molar Refractivity
41.8731
Polarizability
17.036163
Polar Surface Area
26.02
Rotatable Bonds
2
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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