Molecule

ID:17029

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂
Molecular Mass
170.29508
Exact Mass
170.17829871
Charge
0
InChI
InChI=1S/C10H22N2/c1-9-4-6-12(7-5-9)8-10(2,3)11/h9H,4-8,11H2,1-3H3
InChIKey
QPEKEBRFZHIMMX-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)CC(N)(C)C
Isomeric Smiles
C(CN1CCC(CC1)C)(C)(C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.140283
LogD (pH = 7.4)
-1.972178
Log P
1.2277225
Molar Refractivity
53.6855
Polarizability
21.50448
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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