Molecule

ID:1868

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅N
Molecular Mass
101.19
Exact Mass
101.12044949
Charge
0
InChI
InChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3/t6-/m1/s1
InChIKey
UNBMPKNTYKDYCG-ZCFIWIBFSA-N
Canonic Smiles
CC(C[C@H](N)C)C
Isomeric Smiles
CC(C)C[C@@H](C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6255312
LogD (pH = 7.4)
-1.3255228
Log P
1.4020343
Molar Refractivity
32.7598
Polarizability
13.342089
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.59
LOG S
-1.01
Solubility (Water)
9.83e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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