Molecule

ID:33041

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂
Molecular Mass
170.29508
Exact Mass
170.17829871
Charge
0
InChI
InChI=1S/C10H22N2/c1-9-4-6-12(7-5-9)10(2,3)8-11/h9H,4-8,11H2,1-3H3
InChIKey
NHAIMMHBFBAOOZ-UHFFFAOYSA-N
Canonic Smiles
NCC(N1CCC(CC1)C)(C)C
Isomeric Smiles
N1(C(CN)(C)C)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7170398
LogD (pH = 7.4)
-1.5702586
Log P
1.2277225
Molar Refractivity
53.6855
Polarizability
21.50448
Polar Surface Area
29.26
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
References
Bioactivity
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