Molecule

ID:69760

General Information
Structure
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-8(2,3)10-6-4-9-5-7-10/h9H,4-7H2,1-3H3
InChIKey
PVMNSAIKFPWDQG-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCNCC1)(C)C
Isomeric Smiles
N1(CCNCC1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7121587
LogD (pH = 7.4)
-1.8299516
Log P
0.70820075
Molar Refractivity
44.5491
Polarizability
17.811394
Polar Surface Area
15.27
Rotatable Bonds
1
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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