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
    4.5430   -1.1523    0.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9275   -0.0099    0.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5232    0.0896    0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9105    1.3446    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5904    1.4578   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2030    0.3676   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985   -0.8682   -0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7273   -0.9941   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6406    0.5168   -0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5085    0.4914    0.2973 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3923   -0.7490    1.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8673    0.6680   -0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0429   -2.0711    0.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6082   -1.1321    1.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4499    0.9354    0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070    2.2187    0.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0945    2.4379   -0.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2219   -1.7360   -0.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1356   -1.9959    0.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9109   -0.2676   -1.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8041    1.5029   -1.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5221   -0.7735    1.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4274   -1.6211    0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2938   -0.8036    1.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4996    0.7930    0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9342    1.5789   -0.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2329   -0.2283   -0.7303 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