Molecule

ID:21850

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂
Molecular Mass
140.22604
Exact Mass
140.13134852
Charge
0
InChI
InChI=1S/C8H16N2/c1-2-8(1)7-10-5-3-9-4-6-10/h8-9H,1-7H2
InChIKey
IVLIBVDZIYFXBZ-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CC1CC1
Isomeric Smiles
N1(CC2CC2)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1585124
LogD (pH = 7.4)
-1.9166498
Log P
0.4348184
Molar Refractivity
42.6855
Polarizability
17.072641
Polar Surface Area
15.27
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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