Molecule

ID:71808

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂
Molecular Mass
170.29508
Exact Mass
170.17829871
Charge
0
InChI
InChI=1S/C10H22N2/c1-9(2)12-8-4-3-5-10(12)6-7-11/h9-10H,3-8,11H2,1-2H3
InChIKey
XFKFFPYPUQJYSW-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCCCN1C(C)C
Isomeric Smiles
C1N(C(CCC1)CCN)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.8231006
LogD (pH = 7.4)
-2.8662071
Log P
1.1366615
Molar Refractivity
53.7829
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
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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