Molecule

ID:24945

General Information
Structure
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-7(2)10-4-3-8(5-9)6-10/h7-8H,3-6,9H2,1-2H3
InChIKey
DJCJZTOPDLHBRF-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(C1)C(C)C
Isomeric Smiles
N1(CC(CC1)CN)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-6.0825095
LogD (pH = 7.4)
-4.3195963
Log P
0.23231906
Molar Refractivity
44.6555
Polarizability
17.811394
Polar Surface Area
29.26
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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