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
    4.0017    1.9807   -0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3075    1.4400    0.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1282    0.6389    0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4081    0.0751    1.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2937   -0.6846    1.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1213   -0.8923   -0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5961   -0.3303   -1.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7213    0.4364   -0.9166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3289   -1.7158   -0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5478   -0.9803   -0.3594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5465    0.0025   -1.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0442   -0.5026    0.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7614    1.8790   -1.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8985    2.5892   -0.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6003    1.5782    1.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7428    0.2448    2.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2566   -1.1168    2.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2321   -0.5204   -2.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2087    0.8288   -1.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3909   -2.5279    0.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1924   -2.1942   -1.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3413   -0.4665   -2.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5741    0.4581   -1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8486    0.8251   -1.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1632   -0.6365    0.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6376   -1.0206    1.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9070    0.6121    0.9783 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