2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide

C5H12FIN4O — CID 131206781

IUPAC2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide
SMILESI.NC(N)=NCC(=O)NCCF
InChIInChI=1S/C5H11FN4O.HI/c6-1-2-9-4(11)3-10-5(7)8;/h1-3H2,(H,9,11)(H4,7,8,10);1H
InChIKeyWPMYOEFYDNGRTD-UHFFFAOYSA-N
MW290.08 g/mol
LogP-1.04
Rot. Bonds4

About 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide

2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide (PubChem CID 131206781) has the molecular formula C5H12FIN4O and a molecular weight of 290.08 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide
PubChem CID131206781
Molecular FormulaC5H12FIN4O
Molecular Weight290.08 g/mol
Exact Mass290.00
IUPAC Name2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide
SMILESI.NC(N)=NCC(=O)NCCF
InChIInChI=1S/C5H11FN4O.HI/c6-1-2-9-4(11)3-10-5(7)8;/h1-3H2,(H,9,11)(H4,7,8,10);1H
InChIKeyWPMYOEFYDNGRTD-UHFFFAOYSA-N
XLogP-1.04
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.08
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide 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 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide?
The IUPAC name of 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide (CID 131206781) is 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide?
The canonical SMILES for 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide is I.NC(N)=NCC(=O)NCCF.
What is the InChIKey of 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide?
The InChIKey is WPMYOEFYDNGRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN4O.HI/c6-1-2-9-4(11)3-10-5(7)8;/h1-3H2,(H,9,11)(H4,7,8,10);1H.
What are the key properties of 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide?
2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide has a molecular weight of 290.08 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide;hydroiodide is sourced from PubChem (CID 131206781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).