N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide

C8H13FN2 — CID 126687129

IUPACN-(2-fluoro-3-methylbut-2-enylidene)propanimidamide
SMILES[H]/N=C(CC)/N=C/C(F)=C(C)C
InChIInChI=1S/C8H13FN2/c1-4-8(10)11-5-7(9)6(2)3/h5,10H,4H2,1-3H3/b10-8+,11-5+
InChIKeyNMGKOHCVGYENQA-BSJVZVMRSA-N
MW156.20 g/mol
LogP2.71
Rot. Bonds2

About N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide

N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide (PubChem CID 126687129) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methylbut-2-enylidene)propanimidamide
PubChem CID126687129
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC NameN-(2-fluoro-3-methylbut-2-enylidene)propanimidamide
SMILES[H]/N=C(CC)/N=C/C(F)=C(C)C
InChIInChI=1S/C8H13FN2/c1-4-8(10)11-5-7(9)6(2)3/h5,10H,4H2,1-3H3/b10-8+,11-5+
InChIKeyNMGKOHCVGYENQA-BSJVZVMRSA-N
XLogP2.71
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide 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 N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide?
The IUPAC name of N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide (CID 126687129) is N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide.
What is the SMILES notation for N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide?
The canonical SMILES for N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide is [H]/N=C(CC)/N=C/C(F)=C(C)C.
What is the InChIKey of N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide?
The InChIKey is NMGKOHCVGYENQA-BSJVZVMRSA-N. The full InChI is InChI=1S/C8H13FN2/c1-4-8(10)11-5-7(9)6(2)3/h5,10H,4H2,1-3H3/b10-8+,11-5+.
What are the key properties of N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide?
N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide has a molecular weight of 156.20 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide is sourced from PubChem (CID 126687129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).