Structure Database (LMSD)

Common Name
N-methyl hexanamide
Systematic Name
N-methyl hexanoyl amine
Synonyms
LM ID
LMFA08020142
Formula
Exact Mass
Calculate m/z
129.115364
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
RSPBQSYWXAROOO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H15NO/c1-3-4-5-6-7(9)8-2/h3-6H2,1-2H3,(H,8,9)
SMILES (Click to copy)
CCCCCC(NC)=O

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 146.81
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.31
Molar Refractivity 38.21

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Created at
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Updated at
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