23480
  -OEChem-04192402042D

 48 49  0     1  0  0  0  0  0999 V2000
    3.0000    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2554    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0420    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4220    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 12  2  0  0  0  0
  7 14  1  0  0  0  0
  8 13  2  0  0  0  0
  8 15  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 16  1  0  0  0  0
 12 39  1  0  0  0  0
 13 17  1  0  0  0  0
 13 40  1  0  0  0  0
 14 18  2  0  0  0  0
 14 41  1  0  0  0  0
 15 19  2  0  0  0  0
 15 42  1  0  0  0  0
 16 20  2  0  0  0  0
 16 43  1  0  0  0  0
 17 21  2  0  0  0  0
 17 44  1  0  0  0  0
 18 20  1  0  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23480

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
261

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6AAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHAAQAAAADajBGAQyAILAAACAAiBCAAACAAAgAAAIiIAIAIgIICKAkRCEIAAgkACIiAcQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-tert-butyl-4,4-diphenyl-butan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-tert-butyl-4,4-diphenyl-2-butanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-<I>tert</I>-butyl-4,4-diphenylbutan-2-amine

> <PUBCHEM_IUPAC_NAME>
N-tert-butyl-4,4-diphenylbutan-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-tert-butyl-4,4-diphenyl-butan-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tert-butyl-(1-methyl-3,3-diphenyl-propyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
UISARWKNNNHPGI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
281.214349865

> <PUBCHEM_MOLECULAR_FORMULA>
C20H27N

> <PUBCHEM_MOLECULAR_WEIGHT>
281.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)NC(C)(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)NC(C)(C)C

> <PUBCHEM_CACTVS_TPSA>
12

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
281.214349865

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
12  16  8
13  17  8
14  18  8
15  19  8
16  20  8
17  21  8
18  20  8
19  21  8
2  6  3
7  12  8
7  14  8
8  13  8
8  15  8

$$$$