5-fluoro-N'-methylpentanimidamide

C6H13FN2 — CID 54354453

IUPAC5-fluoro-N'-methylpentanimidamide
SMILESC/N=C(/N)CCCCF
InChIInChI=1S/C6H13FN2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3,(H2,8,9)
InChIKeyANQGBNGRGCFIMN-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.11
Rot. Bonds4

About 5-fluoro-N'-methylpentanimidamide

5-fluoro-N'-methylpentanimidamide (PubChem CID 54354453) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 5-fluoro-N'-methylpentanimidamide.

Molecular Properties

Compound Name5-fluoro-N'-methylpentanimidamide
PubChem CID54354453
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name5-fluoro-N'-methylpentanimidamide
SMILESC/N=C(/N)CCCCF
InChIInChI=1S/C6H13FN2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3,(H2,8,9)
InChIKeyANQGBNGRGCFIMN-UHFFFAOYSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-methylpentanimidamide?
The IUPAC name of 5-fluoro-N'-methylpentanimidamide (CID 54354453) is 5-fluoro-N'-methylpentanimidamide.
What is the SMILES notation for 5-fluoro-N'-methylpentanimidamide?
The canonical SMILES for 5-fluoro-N'-methylpentanimidamide is C/N=C(/N)CCCCF.
What is the InChIKey of 5-fluoro-N'-methylpentanimidamide?
The InChIKey is ANQGBNGRGCFIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3,(H2,8,9).
What are the key properties of 5-fluoro-N'-methylpentanimidamide?
5-fluoro-N'-methylpentanimidamide has a molecular weight of 132.18 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-methylpentanimidamide is sourced from PubChem (CID 54354453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).