16800
  DSViewer          3D                             0

 26 26  0  0  0  0  0  0  0  0999 V2000
    8.5653   -1.1558   -0.0000 N   0  0  0  0  0  0  0  0  0  1
    4.8111   -0.4104    0.0002 C   0  0  0  0  0  0  0  0  0  2
    3.5387   -1.2748    0.0002 C   0  0  0  0  0  0  0  0  0  3
    6.0518   -1.3260   -0.0001 C   0  0  0  0  0  0  0  0  0  4
    2.2997   -0.3625    0.0005 C   0  0  0  0  0  0  0  0  0  5
    7.3160   -0.5041    0.0000 C   0  0  0  0  0  0  0  0  0  6
    1.0264   -1.2278    0.0006 C   0  0  0  0  0  0  0  0  0  7
    7.2525    0.8279    0.0002 C   0  0  0  0  0  0  0  0  0  8
    8.4842    1.6048    0.0003 C   0  0  0  0  0  0  0  0  0  9
    9.6581   -0.4996    0.0001 C   0  0  0  0  0  0  0  0  0 10
    9.6480    0.9639    0.0003 C   0  0  0  0  0  0  0  0  0 11
    4.8233    0.2187   -0.8899 H   0  0  0  0  0  0  0  0  0 12
    4.8234    0.2184    0.8904 H   0  0  0  0  0  0  0  0  0 13
    3.5267   -1.9036   -0.8901 H   0  0  0  0  0  0  0  0  0 14
    3.5269   -1.9040    0.8902 H   0  0  0  0  0  0  0  0  0 15
    6.0332   -1.9550    0.8899 H   0  0  0  0  0  0  0  0  0 16
    6.0331   -1.9546   -0.8903 H   0  0  0  0  0  0  0  0  0 17
    2.3117    0.2663    0.8908 H   0  0  0  0  0  0  0  0  0 18
    2.3114    0.2666   -0.8895 H   0  0  0  0  0  0  0  0  0 19
    0.1479   -0.5825    0.0008 H   0  0  0  0  0  0  0  0  0 20
    1.0143   -1.8573    0.8904 H   0  0  0  0  0  0  0  0  0 21
    1.0140   -1.8570   -0.8894 H   0  0  0  0  0  0  0  0  0 22
    6.2858    1.3315    0.0002 H   0  0  0  0  0  0  0  0  0 23
    8.4518    2.6944    0.0005 H   0  0  0  0  0  0  0  0  0 24
   10.6085   -1.0333    0.0001 H   0  0  0  0  0  0  0  0  0 25
   10.5845    1.5216    0.0004 H   0  0  0  0  0  0  0  0  0 26
  1  6  1  0  0  0
  1 10  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 12  1  0  0  0
  2 13  1  0  0  0
  3  5  1  0  0  0
  3 14  1  0  0  0
  3 15  1  0  0  0
  4  6  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  7  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  8  2  0  0  0
  7 20  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 11  2  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 26  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16800

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
90.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAAAAAAACAjBFgQ+gJIIEACgATRnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-pentylpyridine

> <PUBCHEM_IUPAC_CAS_NAME>
2-pentylpyridine

> <PUBCHEM_IUPAC_NAME>
2-pentylpyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-pentylpyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amylpyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
HSDXVAOHEOSTFZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.9

> <PUBCHEM_EXACT_MASS>
149.12

> <PUBCHEM_MOLECULAR_FORMULA>
C10H15N

> <PUBCHEM_MOLECULAR_WEIGHT>
149.233

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC1=CC=CC=N1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCC1=CC=CC=N1

> <PUBCHEM_CACTVS_TPSA>
12.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
149.12

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  10  8
1  6  8
10  11  8
6  8  8
8  9  8
9  11  8

$$$$
