
 N,N-di-n-propyldopamine

 40 40  0  0  0  0  0  0  0  0999 V2000
   -0.0553    2.9682   -0.4858 C   0  0  0  0  0
    1.1372    2.2725   -1.1298 C   0  0  0  0  0
    2.2496    2.0235   -0.1025 C   0  0  0  0  0
    3.4994    1.4804   -0.6721 N   0  0  0  0  0
    3.3009    0.1615   -1.2982 C   0  0  0  0  0
    4.5595   -0.4270   -1.9538 C   0  0  0  0  0
    4.2516   -1.7456   -2.6507 C   0  0  0  0  0
    4.5833    1.5078    0.3395 C   0  0  0  0  0
    4.4085    0.5648    1.5471 C   0  0  0  0  0
    5.5877    0.5633    2.4936 C   0  0  0  0  0
    5.4396    1.0239    3.8095 C   0  0  0  0  0
    6.5117    0.9512    4.6883 C   0  0  0  0  0
    7.7367    0.4317    4.2788 C   0  0  0  0  0
    7.9066   -0.0197    2.9770 C   0  0  0  0  0
    6.8299    0.0436    2.0871 C   0  0  0  0  0
    8.7449    0.3770    5.2019 O   0  0  0  0  0
    6.3507    1.3826    5.9735 O   0  0  0  0  0
   -0.8664    3.0786   -1.2110 H   0  0  0  0  0
    0.2202    3.9652   -0.1286 H   0  0  0  0  0
   -0.4339    2.3912    0.3629 H   0  0  0  0  0
    1.5131    2.8878   -1.9561 H   0  0  0  0  0
    0.7843    1.3266   -1.5545 H   0  0  0  0  0
    1.8604    1.3603    0.6804 H   0  0  0  0  0
    2.4738    2.9869    0.3756 H   0  0  0  0  0
    2.5592    0.2564   -2.0988 H   0  0  0  0  0
    2.8909   -0.5558   -0.5767 H   0  0  0  0  0
    5.3413   -0.6140   -1.2097 H   0  0  0  0  0
    4.9636    0.2815   -2.6877 H   0  0  0  0  0
    3.4923   -1.6135   -3.4274 H   0  0  0  0  0
    3.8867   -2.4881   -1.9347 H   0  0  0  0  0
    5.1548   -2.1445   -3.1228 H   0  0  0  0  0
    4.6961    2.5388    0.7061 H   0  0  0  0  0
    5.5373    1.3095   -0.1639 H   0  0  0  0  0
    4.2558   -0.4684    1.2189 H   0  0  0  0  0
    3.5074    0.8449    2.1038 H   0  0  0  0  0
    4.4921    1.4232    4.1620 H   0  0  0  0  0
    8.8532   -0.4293    2.6389 H   0  0  0  0  0
    6.9594   -0.3303    1.0731 H   0  0  0  0  0
    9.5225   -0.0216    4.7732 H   0  0  0  0  0
    7.2177    1.2199    6.3949 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 16 39  1  0  0  0
 17 40  1  0  0  0
M  END

>  <Chemical Name>
N,N-di-n-propyldopamine

>  <PubChem CID>
3106

>  <Formula>
C14H23NO2

>  <Molecular Weight>
237.343000

>  <IUPAC Name>
4-[2-(dipropylamino)ethyl]benzene-1,2-diol

>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCC)CCC1=CC(=C(C=C1)O)O

>  <Isomeric SMILES>
CCCN(CCC)CCC1=CC(=C(C=C1)O)O

>  <InChI Std. ID>
InChI=1S/C14H23NO2/c1-3-8-15(9-4-2)10-7-12-5-6-13(16)14(17)11-12/h5-6,11,16-17H,3-4,7-10H2,1-2H3

>  <InChI Key>
LMYSNFBROWBKMB-UHFFFAOYSA-N

