Molecule

ID:68960

General Information
Structure
Molecular Formula
C₆H₁₄N₂
Molecular Mass
114.18876
Exact Mass
114.11569846
Charge
0
InChI
InChI=1S/C6H14N2/c1-6(2)5-7-3-4-8-6/h7-8H,3-5H2,1-2H3
InChIKey
PIPWSBOFSUJCCO-UHFFFAOYSA-N
Canonic Smiles
CC1(C)CNCCN1
Isomeric Smiles
N1C(CNCC1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.5017083
LogD (pH = 7.4)
-2.3455305
Log P
-0.031655136
Molar Refractivity
34.5058
Polarizability
14.118806
Polar Surface Area
24.06
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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