4-(Hexyliminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol

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Basic information

CAS: 7355-37-5
Standard SMILES: CCCCCCN=Cc1c(CO)cnc(C)c1O
InChIKey: OGIVABLAEYJRAV-UHFFFAOYSA-N
Molecular formula: C14H22N2O2
Average molar mass: 250.34 g/mol
Monoisotopic mass: 250.16812795

Names & identifiers

Preferred name: 4-(Hexyliminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
IUPAC: 4-(hexyliminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol

Names & synonyms

NSC671107355-37-5NCIOpen2_002912DTXSID30418174NSC-67110DS-0144073-Pyridinemethanol,4-[(hexylimino)methyl]-5-hydroxy-6-methyl-(4E)-4-[(Hexylamino)methylidene]-5-(hydroxymethyl)-2-methylpyridin-3(4H)-one

Database identifiers

CAS: 7355-37-5
PubChem CID: 249127
DTXSID: DTXSID30418174

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 65.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 246

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