
 spermidine

 29 28  0  0  0  0  0  0  0  0999 V2000
    1.1020   -0.0165    0.0090 C   0  0  0  0  0
    0.5163   -1.4304   -0.0129 C   0  0  0  0  0
   -1.0129   -1.3923    0.0091 C   0  0  0  0  0
   -1.5400   -2.7568   -0.0286 N   0  0  0  0  0
   -3.0039   -2.7570   -0.0178 C   0  0  0  0  0
   -3.5269   -4.1953   -0.0228 C   0  0  0  0  0
   -5.0553   -4.2162   -0.0523 C   0  0  0  0  0
   -5.5505   -5.5877   -0.0264 N   0  0  0  0  0
    2.6285   -0.0507   -0.0242 C   0  0  0  0  0
    3.1627    1.3056    0.0100 N   0  0  0  0  0
    0.7239    0.5489   -0.8523 H   0  0  0  0  0
    0.7617    0.5058    0.9123 H   0  0  0  0  0
    0.8879   -1.9926    0.8527 H   0  0  0  0  0
    0.8615   -1.9548   -0.9124 H   0  0  0  0  0
   -1.3743   -0.8284   -0.8592 H   0  0  0  0  0
   -1.3547   -0.8779    0.9155 H   0  0  0  0  0
   -1.1933   -3.2800    0.7760 H   0  0  0  0  0
   -3.3809   -2.2303   -0.9025 H   0  0  0  0  0
   -3.3771   -2.2368    0.8724 H   0  0  0  0  0
   -3.1666   -4.7237    0.8695 H   0  0  0  0  0
   -3.1326   -4.7304   -0.8970 H   0  0  0  0  0
   -5.4217   -3.7161   -0.9561 H   0  0  0  0  0
   -5.4562   -3.6776    0.8122 H   0  0  0  0  0
   -5.1905   -6.0981   -0.8326 H   0  0  0  0  0
   -6.5649   -5.5842   -0.1211 H   0  0  0  0  0
    2.9777   -0.5562   -0.9312 H   0  0  0  0  0
    3.0121   -0.6073    0.8375 H   0  0  0  0  0
    2.8440    1.8206   -0.8098 H   0  0  0  0  0
    4.1792    1.2689   -0.0556 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  2 14  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
M  END

>  <Chemical Name>
spermidine

>  <PubChem CID>
1102

>  <Formula>
C7H19N3

>  <Molecular Weight>
145.250000

>  <IUPAC Name>
N'-(3-aminopropyl)butane-1,4-diamine

>  <XlogP>
-1.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C(CCNCCCN)CN

>  <Isomeric SMILES>
C(CCNCCCN)CN

>  <InChI Std. ID>
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2

>  <InChI Key>
ATHGHQPFGPMSJY-UHFFFAOYSA-N

