Molecule

ID:121019

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₁N₃
Molecular Mass
253.42674
Exact Mass
253.25179801
Charge
0
InChI
InChI=1S/C15H31N3/c1-14(2)10-13(11-15(3,4)17-14)16-12-6-8-18(5)9-7-12/h12-13,16-17H,6-11H2,1-5H3
InChIKey
LYUICTQOSXRXID-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)NC1CC(C)(C)NC(C1)(C)C
Isomeric Smiles
N1C(CC(CC1(C)C)NC1CCN(CC1)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-7.050717
LogD (pH = 7.4)
-3.9540026
Log P
0.87198925
Molar Refractivity
78.4149
Polarizability
31.516497
Polar Surface Area
27.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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