39220800
  -OEChem-05072407122D

 25 26  0     1  0  0  0  0  0999 V2000
    2.8660    0.0429    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.9538    2.3907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.5817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3660    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9784    1.4847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308    2.1983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    1.7106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9850    0.0937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414    0.8828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4906    0.8828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7470    0.0937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7016    2.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704    2.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  4  2  1  6  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
39220800

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
149

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHAAQAAAACCjBEgQ8wJNIEACgADRnRACCgCAxEiAI2KA4dJgIYOLA0ZGUIAhgkADIyAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S)-1-(3-pyridyl)pyrrolidin-3-amine

> <PUBCHEM_IUPAC_CAS_NAME>
(3S)-1-(3-pyridinyl)-3-pyrrolidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>S</I>)-1-pyridin-3-ylpyrrolidin-3-amine

> <PUBCHEM_IUPAC_NAME>
(3S)-1-pyridin-3-ylpyrrolidin-3-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S)-1-pyridin-3-ylpyrrolidin-3-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(3S)-1-(3-pyridyl)pyrrolidin-3-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H13N3/c10-8-3-5-12(7-8)9-2-1-4-11-6-9/h1-2,4,6,8H,3,5,7,10H2/t8-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LVGMMVAWLISWJD-QMMMGPOBSA-N

> <PUBCHEM_XLOGP3_AA>
0.2

> <PUBCHEM_EXACT_MASS>
163.110947427

> <PUBCHEM_MOLECULAR_FORMULA>
C9H13N3

> <PUBCHEM_MOLECULAR_WEIGHT>
163.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CC1N)C2=CN=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(C[C@H]1N)C2=CN=CC=C2

> <PUBCHEM_CACTVS_TPSA>
42.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
163.110947427

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
4  2  6
3  10  8
3  12  8
8  10  8
8  9  8
9  11  8

$$$$