Molecule

ID:33558

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈N₂
Molecular Mass
130.23122
Exact Mass
130.14699859
Charge
0
InChI
InChI=1S/C7H18N2/c1-4-5-7(6-8)9(2)3/h7H,4-6,8H2,1-3H3
InChIKey
PLHKKHOLOZDWIB-UHFFFAOYSA-N
Canonic Smiles
CCCC(N(C)C)CN
Isomeric Smiles
N(C(CN)CCC)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.1159434
LogD (pH = 7.4)
-1.804441
Log P
0.7768517
Molar Refractivity
41.4817
Polarizability
16.705751
Polar Surface Area
29.26
Rotatable Bonds
4
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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