Molecule

ID:25130

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)5-4-11-3/h9-11H,4-8H2,1-3H3
InChIKey
PHDFWZDBGJLFLI-UHFFFAOYSA-N
Canonic Smiles
CNCCN1CC(C)CC(C1)C
Isomeric Smiles
N1(CC(CC(C1)C)C)CCNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5595677
LogD (pH = 7.4)
-1.2438241
Log P
1.4060779
Molar Refractivity
53.7977
Polarizability
21.50448
Polar Surface Area
15.27
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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