Molecule

ID:16900

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂
Molecular Mass
170.29508
Exact Mass
170.17829871
Charge
0
InChI
InChI=1S/C10H22N2/c1-9-6-10(2)8-12(7-9)5-3-4-11/h9-10H,3-8,11H2,1-2H3
InChIKey
DZXDFGJXATZQKS-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CC(C)CC(C1)C
Isomeric Smiles
N1(CC(CC(C1)C)C)CCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.9357543
LogD (pH = 7.4)
-2.9679039
Log P
1.0334572
Molar Refractivity
53.8885
Polarizability
21.50448
Polar Surface Area
29.26
Rotatable Bonds
3
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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