Compound 92
  CheckMol                        TMF02:r0:m0
MF=C16H35N MW=241.46
 17 16  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    0.7587   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3159    0.7587   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6317    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8765    0.7824   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5725   -1.4700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9476    0.7824   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6436   -1.4700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1686    0.0474   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646   -2.2168   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2635    0.0474   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3514   -2.2050   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4608    0.8061   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5794    0.8061   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7530    0.0711   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8952    0.0711   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END

2D Structure

Bis-2-Ethylhexylamine

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Chemical Name - Bis-2-Ethylhexylamine
Mol Weight - 241.461
Smiles - CCCCC(CC)CNCC(CC)CCCC

Property Name	Property Value
Mol Name	Bis-2-Ethylhexylamine
Molweight	241.461
Monoisotopic Mass	241.276949
Clogp	5.3911
Clogs	-3.789
H Acceptors	1
H Donors	1
Total Surface Area	236.6
Relative Psa	0.048436
Polar Surface Area	12.03
Druglikeness	-4.4143
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Shape Index	0.76471
Molecular Flexibility	0.75497
Molecular Complexity	0.36642
Fragments	1
Non H Atoms	17
Non Ch Atoms	1
Electronegative Atoms	1
Stereo Centers	2
Rotatable Bonds	12
Sp3 Atoms	17
Symmetric Atoms	8
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CCCCC(CC)CNCC(CC)CCCC
InChIKey	InChI=1S/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3
InChI	SAIKULLUBZKPDA-UHFFFAOYSA-N

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1 — Bis-2-Ethylhexylamine | 2 — Bis-2-Ethylhexylamine