Molecule

ID:116965

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-7(2)5-8-6-9-3-4-10-8/h7-10H,3-6H2,1-2H3
InChIKey
BYYCSTYYULCJLQ-UHFFFAOYSA-N
Canonic Smiles
CC(CC1NCCNC1)C
Isomeric Smiles
N1C(CC(C)C)CNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.5080314
LogD (pH = 7.4)
-1.3178856
Log P
0.9418784
Molar Refractivity
43.5412
Polarizability
17.811394
Polar Surface Area
24.06
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
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References
Bioactivity
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