2-fluoro-5-imino-N-methyl-4-propyliminopentanamide

C9H16FN3O — CID 91520968

IUPAC2-fluoro-5-imino-N-methyl-4-propyliminopentanamide
SMILES[H]/N=C/C(CC(F)C(=O)NC)=N\CCC
InChIInChI=1S/C9H16FN3O/c1-3-4-13-7(6-11)5-8(10)9(14)12-2/h6,8,11H,3-5H2,1-2H3,(H,12,14)/b11-6+,13-7-
InChIKeyXMSQZICKJLMJFD-GKLSISBXSA-N
MW201.24 g/mol
LogP0.96
Rot. Bonds6

About 2-fluoro-5-imino-N-methyl-4-propyliminopentanamide

2-fluoro-5-imino-N-methyl-4-propyliminopentanamide (PubChem CID 91520968) has the molecular formula C9H16FN3O and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-fluoro-5-imino-N-methyl-4-propyliminopentanamide.

Molecular Properties

Compound Name2-fluoro-5-imino-N-methyl-4-propyliminopentanamide
PubChem CID91520968
Molecular FormulaC9H16FN3O
Molecular Weight201.24 g/mol
Exact Mass201.13
IUPAC Name2-fluoro-5-imino-N-methyl-4-propyliminopentanamide
SMILES[H]/N=C/C(CC(F)C(=O)NC)=N\CCC
InChIInChI=1S/C9H16FN3O/c1-3-4-13-7(6-11)5-8(10)9(14)12-2/h6,8,11H,3-5H2,1-2H3,(H,12,14)/b11-6+,13-7-
InChIKeyXMSQZICKJLMJFD-GKLSISBXSA-N
XLogP0.96
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-imino-N-methyl-4-propyliminopentanamide?
The IUPAC name of 2-fluoro-5-imino-N-methyl-4-propyliminopentanamide (CID 91520968) is 2-fluoro-5-imino-N-methyl-4-propyliminopentanamide.
What is the SMILES notation for 2-fluoro-5-imino-N-methyl-4-propyliminopentanamide?
The canonical SMILES for 2-fluoro-5-imino-N-methyl-4-propyliminopentanamide is [H]/N=C/C(CC(F)C(=O)NC)=N\CCC.
What is the InChIKey of 2-fluoro-5-imino-N-methyl-4-propyliminopentanamide?
The InChIKey is XMSQZICKJLMJFD-GKLSISBXSA-N. The full InChI is InChI=1S/C9H16FN3O/c1-3-4-13-7(6-11)5-8(10)9(14)12-2/h6,8,11H,3-5H2,1-2H3,(H,12,14)/b11-6+,13-7-.
What are the key properties of 2-fluoro-5-imino-N-methyl-4-propyliminopentanamide?
2-fluoro-5-imino-N-methyl-4-propyliminopentanamide has a molecular weight of 201.24 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-imino-N-methyl-4-propyliminopentanamide is sourced from PubChem (CID 91520968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).