Molecule

ID:50189

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N
Molecular Mass
141.25386
Exact Mass
141.15174961
Charge
0
InChI
InChI=1S/C9H19N/c1-8(2)6-9-4-3-5-10-7-9/h8-10H,3-7H2,1-2H3
InChIKey
YUDLRLBJRSTYDN-UHFFFAOYSA-N
Canonic Smiles
CC(CC1CCCNC1)C
Isomeric Smiles
N1CC(CC(C)C)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0357594
LogD (pH = 7.4)
-0.66146684
Log P
2.198617
Molar Refractivity
45.0576
Polarizability
18.13941
Polar Surface Area
12.03
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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