Molecule

ID:33043

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-10(2)8(7-9)5-3-4-6-8/h3-7,9H2,1-2H3
InChIKey
OHQDEEKAUZTSQC-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCC1)N(C)C
Isomeric Smiles
C1(N(C)C)(CN)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1930063
LogD (pH = 7.4)
-2.0038502
Log P
0.67165625
Molar Refractivity
44.2407
Polarizability
17.811394
Polar Surface Area
29.26
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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