Molecule

ID:58145

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂
Molecular Mass
170.29508
Exact Mass
170.17829871
Charge
0
InChI
InChI=1S/C10H22N2/c1-9(2)7-12-5-4-10(8-12)6-11-3/h9-11H,4-8H2,1-3H3
InChIKey
XWFNVFMJHRSQIC-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCN(C1)CC(C)C
Isomeric Smiles
C1C(CCN1CC(C)C)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.243974
LogD (pH = 7.4)
-3.4009278
Log P
1.1358197
Molar Refractivity
54.0069
Polarizability
21.50448
Polar Surface Area
15.27
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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