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
    4.7954    0.4225    0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8219   -0.3593    0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4460   -0.2016    0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0798    0.8161   -0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7721    0.9793   -1.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1703    0.0716   -0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1469   -0.9622    0.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4642   -1.0813    0.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5502    0.2692   -1.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5425   -0.5175   -0.3594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6122   -0.2475    1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8318   -0.1834   -0.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6633    1.2659   -0.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8244    0.2700    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0832   -1.1928    1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    1.5475   -0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5397    1.7997   -1.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6290   -1.6401    0.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735   -1.8756    1.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8672    1.3482   -0.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    0.0428   -2.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5323    0.3632    1.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7064   -1.1471    1.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7268    0.3272    1.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7582    0.0059   -2.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5963   -0.9234   -0.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1216    0.8027   -0.4672 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