Molecule

ID:24614

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂
Molecular Mass
154.25262
Exact Mass
154.14699859
Charge
0
InChI
InChI=1S/C9H18N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h9-10H,1-8H2
InChIKey
YLBWRMSQRFEIEB-UHFFFAOYSA-N
Canonic Smiles
C1CCN(C1)CC1CCCN1
Isomeric Smiles
N1(CC2NCCC2)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.535761
LogD (pH = 7.4)
-2.7264926
Log P
0.69712806
Molar Refractivity
47.4647
Polarizability
18.918522
Polar Surface Area
15.27
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
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Molecule Details
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References
Bioactivity
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