Monomers

Benzenemethanamine, 4-ethenyl-N,N-dimethyl-

Identifiers

IUPAC name
1-(4-ethenylphenyl)-N,N-dimethylmethanamine
InchI
InChI=1S/C11H15N/c1-4-10-5-7-11(8-6-10)9-12(2)3/h4-8H,1,9H2,2-3H3
InchI Key
XQBHAZDVLGNSOJ-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)CN(C)C
Canonical SMILES
CN(C)CC1=CC=C(C=C1)C=C
Isomeric SMILES
CN(C)CC1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H15N
Heavy Atom Count
12
Molecular Weight
161.248
Exact Molecular Weight
161.1204
Valence Electrons
64
Radical Electrons
0
tPSA
3.24
MolLogP
2.3912
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 27 27  0  0  0  0  0  0  0  0999 V2000
    4.8235   -0.5437    0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -0.7366    0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4376   -0.2685    0.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1268    0.4157   -0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.8418   -0.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2233    0.5946    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0896   -0.0942    1.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3697   -0.5155    1.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6025    1.0386   -0.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3795    0.0768   -0.9393 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7023    0.6391   -1.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5597   -1.1562   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6904   -0.0150   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8185   -0.8916    0.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9652   -1.2765    1.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9162    0.6403   -1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053    1.3773   -1.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7156   -0.2986    1.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246   -1.0590    2.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1680    1.2673    0.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6348    1.9929   -0.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9073    1.3505   -0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4921   -0.1422   -1.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7545    1.2181   -2.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6511   -1.7696   -0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3884   -1.7059   -0.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8817   -0.9799    0.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  8  3  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 11 22  1  0
 11 23  1  0
 11 24  1  0
 12 25  1  0
 12 26  1  0
 12 27  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers