Molecule

ID:24464

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈N₂
Molecular Mass
130.23122
Exact Mass
130.14699859
Charge
0
InChI
InChI=1S/C7H18N2/c1-7(2)9-6-4-5-8-3/h7-9H,4-6H2,1-3H3
InChIKey
IOWKVIRYCFXIFG-UHFFFAOYSA-N
Canonic Smiles
CNCCCNC(C)C
Isomeric Smiles
N(CCCNC)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.8303814
LogD (pH = 7.4)
-3.9879346
Log P
0.27606082
Molar Refractivity
41.4506
Polarizability
16.705751
Polar Surface Area
24.06
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
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References
Bioactivity
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