Molecule

ID:10417

General Information
Structure
MolImage
Molecular Formula
C₁₃H₃₀N₂
Molecular Mass
214.3907
Exact Mass
214.24089897
Charge
0
InChI
InChI=1S/C13H30N2/c1-12(2)10-15(11-13(3)4)9-7-5-6-8-14/h12-13H,5-11,14H2,1-4H3
InChIKey
LLOCHSZLPLWNJG-UHFFFAOYSA-N
Canonic Smiles
NCCCCCN(CC(C)C)CC(C)C
Isomeric Smiles
N(CCCCCN)(CC(C)C)CC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6196778
LogD (pH = 7.4)
-3.0651908
Log P
2.9036832
Molar Refractivity
69.5373
Polarizability
27.787165
Polar Surface Area
29.26
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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