Molecule

ID:37501

General Information
Structure
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-9-7-8-5-3-4-6-10(8)2/h8-9H,3-7H2,1-2H3
InChIKey
WXCNRPZWUCFNHZ-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCCCN1C
Isomeric Smiles
C1CN(C(CC1)CNC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.0779595
LogD (pH = 7.4)
-2.0551946
Log P
0.73589927
Molar Refractivity
44.5247
Polarizability
17.811394
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation