5-fluoro-N-methyl-1,3-diazinan-2-imine

C5H10FN3 — CID 136970355

IUPAC5-fluoro-N-methyl-1,3-diazinan-2-imine
SMILESCN=C1NCC(F)CN1
InChIInChI=1S/C5H10FN3/c1-7-5-8-2-4(6)3-9-5/h4H,2-3H2,1H3,(H2,7,8,9)
InChIKeyFKOAPBNGEFSZNX-UHFFFAOYSA-N
MW131.15 g/mol
LogP-0.50
Rot. Bonds

About 5-fluoro-N-methyl-1,3-diazinan-2-imine

5-fluoro-N-methyl-1,3-diazinan-2-imine (PubChem CID 136970355) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is 5-fluoro-N-methyl-1,3-diazinan-2-imine.

Molecular Properties

Compound Name5-fluoro-N-methyl-1,3-diazinan-2-imine
PubChem CID136970355
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Name5-fluoro-N-methyl-1,3-diazinan-2-imine
SMILESCN=C1NCC(F)CN1
InChIInChI=1S/C5H10FN3/c1-7-5-8-2-4(6)3-9-5/h4H,2-3H2,1H3,(H2,7,8,9)
InChIKeyFKOAPBNGEFSZNX-UHFFFAOYSA-N
XLogP-0.50
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-methyl-1,3-diazinan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-1,3-diazinan-2-imine?
The IUPAC name of 5-fluoro-N-methyl-1,3-diazinan-2-imine (CID 136970355) is 5-fluoro-N-methyl-1,3-diazinan-2-imine.
What is the SMILES notation for 5-fluoro-N-methyl-1,3-diazinan-2-imine?
The canonical SMILES for 5-fluoro-N-methyl-1,3-diazinan-2-imine is CN=C1NCC(F)CN1.
What is the InChIKey of 5-fluoro-N-methyl-1,3-diazinan-2-imine?
The InChIKey is FKOAPBNGEFSZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN3/c1-7-5-8-2-4(6)3-9-5/h4H,2-3H2,1H3,(H2,7,8,9).
What are the key properties of 5-fluoro-N-methyl-1,3-diazinan-2-imine?
5-fluoro-N-methyl-1,3-diazinan-2-imine has a molecular weight of 131.15 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-1,3-diazinan-2-imine is sourced from PubChem (CID 136970355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).