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
    4.5366    0.9898   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8245    0.0139    0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124   -0.1693    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7449   -1.2498    0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4114   -1.4364    0.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2567   -0.5827   -0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703    0.4834   -0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245    0.6646   -0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6994   -0.8155   -0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4819   -0.1714    0.3951 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8770   -0.4251    0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1827    1.2350    0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1008    1.7030   -0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074    1.0889    0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3484   -0.6658    1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2611   -1.9278    1.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1312   -2.2737    0.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1567    1.1530   -1.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079    1.5239   -1.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9691   -0.4306   -1.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -1.9129   -0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2073    0.2119   -0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9536   -1.5034   -0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5288   -0.2746    0.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1412    1.3533    0.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8349    1.7868    1.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2671    1.6313   -0.5920 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