Molecule

ID:70409

General Information
Structure
Molecular Formula
C₆H₁₅N₃
Molecular Mass
129.2034
Exact Mass
129.1265975
Charge
0
InChI
InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2
InChIKey
IMUDHTPIFIBORV-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCNCC1
Isomeric Smiles
C(CN1CCNCC1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-7.2240725
LogD (pH = 7.4)
-4.8858356
Log P
-1.1427428
Molar Refractivity
38.6933
Polarizability
15.640824
Polar Surface Area
41.29
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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