Chem Di Methylbutylamine | Cheminformatics
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2D Structure

Di-Methylbutylamine


  • SKU Code: CH137666
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Chemical Name - Di-Methylbutylamine
Mol Weight - 101.192
Smiles - CCCCN(C)C
Property Name Property Value
Mol NameDi-Methylbutylamine
Molweight101.192
Monoisotopic Mass101.120449
Clogp1.1795
Clogs-0.647
H Acceptors1
Total Surface Area101.86
Relative Psa0.034852
Polar Surface Area3.24
Druglikeness0.95242
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.85714
Molecular Flexibility0.67663
Molecular Complexity0.4621
Fragments1
Non H Atoms7
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds3
Sp3 Atoms7
Symmetric Atoms1
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCCCCN(C)C
InChIKeyInChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3
InChIDJEQZVQFEPKLOY-UHFFFAOYSA-N

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