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
    4.7921   -0.1154   -0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8018   -0.6910    0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253   -0.2162    0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3920   -0.8450    0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0786   -0.4504    0.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2923    0.6080    0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130    1.2408   -0.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476    0.8359   -0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7142    1.0313   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5274   -0.0917    0.3969 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3004   -1.1820   -0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9189    0.2629    0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6833    0.7222   -0.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8273   -0.4682   -0.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0489   -1.5289    1.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810   -1.6772    1.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7213   -0.9346    1.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    2.0706   -1.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    1.3665   -1.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9318    1.9009    0.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9444    1.3711   -1.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3417   -1.0228   -1.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0729   -1.2335   -1.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2149   -2.1612    0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4529   -0.4619    1.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9406    1.2362    1.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3641    0.4336   -0.4415 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