(3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine

C7H11FN2 — CID 145318835

IUPAC(3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine
SMILESC=C/C(=C\C=N\C)N(C)F
InChIInChI=1S/C7H11FN2/c1-4-7(10(3)8)5-6-9-2/h4-6H,1H2,2-3H3/b7-5+,9-6+
InChIKeyBYWJLUYMUDQMSD-PDTNFJSOSA-N
MW142.18 g/mol
LogP1.57
Rot. Bonds3

About (3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine

(3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine (PubChem CID 145318835) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is (3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine
PubChem CID145318835
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name(3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine
SMILESC=C/C(=C\C=N\C)N(C)F
InChIInChI=1S/C7H11FN2/c1-4-7(10(3)8)5-6-9-2/h4-6H,1H2,2-3H3/b7-5+,9-6+
InChIKeyBYWJLUYMUDQMSD-PDTNFJSOSA-N
XLogP1.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine 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 (3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine?
The IUPAC name of (3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine (CID 145318835) is (3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine?
The canonical SMILES for (3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine is C=C/C(=C\C=N\C)N(C)F.
What is the InChIKey of (3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine?
The InChIKey is BYWJLUYMUDQMSD-PDTNFJSOSA-N. The full InChI is InChI=1S/C7H11FN2/c1-4-7(10(3)8)5-6-9-2/h4-6H,1H2,2-3H3/b7-5+,9-6+.
What are the key properties of (3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine?
(3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine has a molecular weight of 142.18 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-fluoro-N-methyl-5-methyliminopenta-1,3-dien-3-amine is sourced from PubChem (CID 145318835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).