Molecule

ID:89142

General Information
Structure
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Molecular Formula
C₆H₁₄N₂
Molecular Mass
114.18876
Exact Mass
114.11569846
Charge
0
InChI
InChI=1S/C6H14N2/c1-8(2)6-3-4-7-5-6/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
AVAWMINJNRAQFS-LURJTMIESA-N
Canonic Smiles
CN([C@@H]1CNCC1)C
Isomeric Smiles
N1C[C@H](CC1)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.6740437
LogD (pH = 7.4)
-3.3091161
Log P
-0.22603208
Molar Refractivity
35.2791
Polarizability
14.118806
Polar Surface Area
15.27
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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