Chem Dicyclohexylamine Nitrite

Compound 26
  CheckMol                        TMF02:r0:m0
MF=C12H24N2O2 MW=228.33
 16 16  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7305    1.3078   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    2.6157   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8278    1.4139   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5818    0.1296   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5818    2.7217   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0900    0.1414   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8513   -1.1547   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8396    4.0296   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0900    2.7335   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8441   -1.1429   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6054   -2.4390   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5936    5.3374   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8441    4.0414   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1136   -2.4272   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1018    5.3492   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  1  0  0
  5  8  1  0  1  0  0
  6  9  1  0  1  0  0
  6 10  1  0  1  0  0
  7 11  1  0  1  0  0
  8 12  1  0  1  0  0
  9 13  1  0  1  0  0
 10 14  1  0  1  0  0
 11 15  1  0  1  0  0
 13 16  1  0  1  0  0
 12 15  1  0  1  0  0
 14 16  1  0  1  0  0
M  END

Dicyclohexylamine Nitrite

₹ 0.00 0.00

Chemical Name - Dicyclohexylamine Nitrite
Mol Weight - 181.322
Smiles - ON=O.C(CC1)CCC1NC1CCCCC1

Property Name	Property Value
Mol Name	Dicyclohexylamine Nitrite
Molweight	181.322
Monoisotopic Mass	181.183049
Clogp	2.7093
Clogs	-3.317
H Acceptors	1
H Donors	1
Total Surface Area	160.56
Relative Psa	0.071375
Polar Surface Area	12.03
Druglikeness	-9.0439
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.69231
Molecular Flexibility	0.45927
Molecular Complexity	0.35499
Fragments	2
Non H Atoms	13
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Sp3 Atoms	13
Symmetric Atoms	8
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	ON=O.C(CC1)CCC1NC1CCCCC1
InChIKey	InChI=1S/C12H23N.HNO2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1-3/h11-13H,1-10H2;(H,2,3)
InChI	ZFAKTZXUUNBLEB-UHFFFAOYSA-N

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Dicyclohexylamine Nitrite