Chem Diisopropylethylamine | Cheminformatics
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2D Structure

Diisopropylethylamine


  • SKU Code: CH137687
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Chemical Name - Diisopropylethylamine
Mol Weight - 129.246
Smiles - CCN(C(C)C)C(C)C
Property Name Property Value
Mol NameDiisopropylethylamine
Molweight129.246
Monoisotopic Mass129.151749
Clogp1.8019
Clogs-1.463
H Acceptors1
Total Surface Area123.86
Relative Psa0.028661
Polar Surface Area3.24
Druglikeness-1.165
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Shape Index0.55556
Molecular Flexibility0.79434
Molecular Complexity0.40236
Fragments1
Non H Atoms9
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds3
Sp3 Atoms9
Symmetric Atoms4
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCCN(C(C)C)C(C)C
InChIKeyInChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChIJGFZNNIVVJXRND-UHFFFAOYSA-N

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