Molecule

ID:10418

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈N₂
Molecular Mass
130.23122
Exact Mass
130.14699859
Charge
0
InChI
InChI=1S/C7H18N2/c1-3-4-6-9(2)7-5-8/h3-8H2,1-2H3
InChIKey
BCHCXIHUKWIMHC-UHFFFAOYSA-N
Canonic Smiles
CCCCN(CCN)C
Isomeric Smiles
NCCN(CCCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.124665
LogD (pH = 7.4)
-1.8325942
Log P
0.71708465
Molar Refractivity
41.8115
Polarizability
16.705751
Polar Surface Area
29.26
Rotatable Bonds
5
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
References
Bioactivity
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