3DMET: B00125

Universal description

 
Entry B00125
Name dimethylamine; (CH3)2NH
Formula C2H7N
Weight 45.084
Canonical SMILES CNC
InChI 1/C2H7N/c1-3-2/h3H,1-2H3
KEGG C00543
 

2D and 3D-structures/descriptors

 
2D-Structure

3D-structure (visualized by JSmol)
 

2D descriptors

3D descriptors

Formal charge 0
Weight 45.085
LogP(o/w) -0.101
SlogP -0.1644
LogS 0.64252
SMR 1.49837
TPSA (A2) 12.03
Number of rings 0
Number of atoms 10
   Chiral atoms 0
   H-bond acceptor 1
   H-bond donor 1
   Acidic atoms 0
   Basic atoms 0
   Aromatic atoms 0
    Heavy atoms 3
Number of bonds 9
   Single bonds 9
   Rotatable single bonds 0
   Double bonds 0
   Triple bonds 0
   Aromatic bonds 0
Volume (A3) 59.625
ASA (A2) 208.05
VSA (A2) 87.5223
Density 0.756143
Diameter 2
Dipole (debye) 0.378342
Globularity 0.177958
Potential energy (kcal/mol) 0.742075
   angle bend energy 0.506487
   electrostatic energy -1.33227e-15
   non-bond energy 1.93867
   out-of-plane energy 0
   solvation energy -3.89125
   bond stretch-bend energy 0.0447364
   torsion energy -1.77737
   Van del Waals energy 1.93867