3DMET: B00060

Universal description

 
Entry B00060
Name methylamine; methanamine
Formula CH5N
Weight 31.0572
Canonical SMILES CN
InChI 1/CH5N/c1-2/h2H2,1H3
KEGG C00218
 

2D and 3D-structures/descriptors

 
2D-Structure

3D-structure (visualized by JSmol)
 

2D descriptors

3D descriptors

Formal charge 0
Weight 31.058
LogP(o/w) -0.626
SlogP -0.4251
LogS 0.7181
SMR 1.01114
TPSA (A2) 26.02
Number of rings 0
Number of atoms 7
   Chiral atoms 0
   H-bond acceptor 1
   H-bond donor 1
   Acidic atoms 0
   Basic atoms 0
   Aromatic atoms 0
    Heavy atoms 2
Number of bonds 6
   Single bonds 6
   Rotatable single bonds 0
   Double bonds 0
   Triple bonds 0
   Aromatic bonds 0
Volume (A3) 41.875
ASA (A2) 172.499
VSA (A2) 64.4489
Density 0.741684
Diameter 1
Dipole (debye) 0.395996
Globularity 0.232093
Potential energy (kcal/mol) -1.69436
   angle bend energy 0.00895798
   electrostatic energy 8.88178e-16
   non-bond energy 0.0673887
   out-of-plane energy 0
   solvation energy -5.75517
   bond stretch-bend energy 0.000495931
   torsion energy -1.772
   Van del Waals energy 0.0673887