Molecule

ID:116961

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂
Molecular Mass
156.2685
Exact Mass
156.16264865
Charge
0
InChI
InChI=1S/C9H20N2/c1-4-11-6-5-10-9(7-11)8(2)3/h8-10H,4-7H2,1-3H3
InChIKey
LHSKFSDJLXTYLK-UHFFFAOYSA-N
Canonic Smiles
CCN1CCNC(C1)C(C)C
Isomeric Smiles
N1(CC(NCC1)C(C)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3896356
LogD (pH = 7.4)
-1.159181
Log P
1.3151193
Molar Refractivity
48.9065
Polarizability
19.657892
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
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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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