1-fluoro-N-methyl-N-(methylideneamino)ethanamine

C4H9FN2 — CID 167186063

IUPAC1-fluoro-N-methyl-N-(methylideneamino)ethanamine
SMILESC=NN(C)C(C)F
InChIInChI=1S/C4H9FN2/c1-4(5)7(3)6-2/h4H,2H2,1,3H3
InChIKeyYKWNTFHNTGAJMA-UHFFFAOYSA-N
MW104.13 g/mol
LogP0.85
Rot. Bonds2

About 1-fluoro-N-methyl-N-(methylideneamino)ethanamine

1-fluoro-N-methyl-N-(methylideneamino)ethanamine (PubChem CID 167186063) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is 1-fluoro-N-methyl-N-(methylideneamino)ethanamine.

Molecular Properties

Compound Name1-fluoro-N-methyl-N-(methylideneamino)ethanamine
PubChem CID167186063
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name1-fluoro-N-methyl-N-(methylideneamino)ethanamine
SMILESC=NN(C)C(C)F
InChIInChI=1S/C4H9FN2/c1-4(5)7(3)6-2/h4H,2H2,1,3H3
InChIKeyYKWNTFHNTGAJMA-UHFFFAOYSA-N
XLogP0.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-methyl-N-(methylideneamino)ethanamine?
The IUPAC name of 1-fluoro-N-methyl-N-(methylideneamino)ethanamine (CID 167186063) is 1-fluoro-N-methyl-N-(methylideneamino)ethanamine.
What is the SMILES notation for 1-fluoro-N-methyl-N-(methylideneamino)ethanamine?
The canonical SMILES for 1-fluoro-N-methyl-N-(methylideneamino)ethanamine is C=NN(C)C(C)F.
What is the InChIKey of 1-fluoro-N-methyl-N-(methylideneamino)ethanamine?
The InChIKey is YKWNTFHNTGAJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2/c1-4(5)7(3)6-2/h4H,2H2,1,3H3.
What are the key properties of 1-fluoro-N-methyl-N-(methylideneamino)ethanamine?
1-fluoro-N-methyl-N-(methylideneamino)ethanamine has a molecular weight of 104.13 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methyl-N-(methylideneamino)ethanamine is sourced from PubChem (CID 167186063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).