Molecule

ID:107693

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅N
Molecular Mass
101.19
Exact Mass
101.12044949
Charge
0
InChI
InChI=1S/C6H15N/c1-6(2,3)4-5-7/h4-5,7H2,1-3H3
InChIKey
GPWHFPWZAPOYNO-UHFFFAOYSA-N
Canonic Smiles
NCCC(C)(C)C
Isomeric Smiles
CC(C)(C)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.738154
LogD (pH = 7.4)
-1.3089385
Log P
1.2855064
Molar Refractivity
32.8161
Polarizability
13.342089
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...