Molecule

ID:33570

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈N₂
Molecular Mass
130.23122
Exact Mass
130.14699859
Charge
0
InChI
InChI=1S/C7H18N2/c1-6(2)7(5-8)9(3)4/h6-7H,5,8H2,1-4H3
InChIKey
DJVWTEQJNMZOQF-UHFFFAOYSA-N
Canonic Smiles
NCC(N(C)C)C(C)C
Isomeric Smiles
C(N(C)C)(C(C)C)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0862164
LogD (pH = 7.4)
-1.8664109
Log P
0.6972559
Molar Refractivity
41.3523
Polarizability
16.705751
Polar Surface Area
29.26
Rotatable Bonds
3
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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