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Compound 86
  CheckMol                        TMF02:r0:m0
MF=C12H27N MW=185.35
 13 12  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2913    0.7582   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4927   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3150    0.7582   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2794   -2.2272   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6300    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738    0.7700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2676   -3.7198   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9449    0.7700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1651    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589   -4.4662   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2599    0.0237   -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
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END

Tri-n-Butylamine

₹ 0.00 0.00

Chemical Name - Tri-n-Butylamine
Mol Weight - 185.353
Smiles - CCCCN(CCCC)CCCC

Property Name	Property Value
Mol Name	Tri-n-Butylamine
Molweight	185.353
Monoisotopic Mass	185.214349
Clogp	3.8097
Clogs	-2.327
H Acceptors	1
Total Surface Area	184.42
Relative Psa	0.01925
Polar Surface Area	3.24
Druglikeness	0.58168
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.69231
Molecular Flexibility	0.73399
Molecular Complexity	0.32432
Fragments	1
Non H Atoms	13
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	9
Sp3 Atoms	13
Symmetric Atoms	8
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CCCCN(CCCC)CCCC
InChIKey	InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChI	IMFACGCPASFAPR-UHFFFAOYSA-N

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Tri-n-Butylamine