Chem 2266 Tetramethylpiperidine Ncc

Compound 66
  CheckMol                        TMF02:r0:m0
MF=C9H19N MW=141.26
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5123   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2879   -0.7444   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    2.2685   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7680    2.8238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5242    1.5242   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5757    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5199   -2.0322   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0322   -2.0322   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5639    1.5360   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  1  0  0
  1  3  1  0  1  0  0
  2  4  1  0  1  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  1  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  1  0  0
  7 10  1  0  1  0  0
M  END

2,2,6,6-Tetramethylpiperidine

₹ 0.00 0.00

Chemical Name - 2,2,6,6-Tetramethylpiperidine
Mol Weight - 141.257
Smiles - CC1(C)NC(C)(C)CCC1
InChI - RKMGAJGJIURJSJ-UHFFFAOYSA-N
InChIKey - InChI=1S/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3

Property Name	Property Value
Mol Name	2,2,6,6-Tetramethylpiperidine
Molweight	141.257
Monoisotopic Mass	141.151749
Clogp	1.9899
Clogs	-2.099
H Acceptors	1
H Donors	1
Total Surface Area	122.6
Relative Psa	0.093475
Polar Surface Area	12.03
Druglikeness	-1.7969
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.18746
Molecular Complexity	0.52781
Fragments	1
Non H Atoms	10
Non Ch Atoms	1
Electronegative Atoms	1
Rings Closures	1
Small Rings	1
Sp3 Atoms	10
Symmetric Atoms	5
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CC1(C)NC(C)(C)CCC1
InChIKey	InChI=1S/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3
InChI	RKMGAJGJIURJSJ-UHFFFAOYSA-N

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2,2,6,6-Tetramethylpiperidine