N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine

C8H12FN — CID 178114617

IUPACN-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine
SMILESC=N/C=C(/F)C(=C)C(C)C
InChIInChI=1S/C8H12FN/c1-6(2)7(3)8(9)5-10-4/h5-6H,3-4H2,1-2H3/b8-5+
InChIKeyXGSGNRKZCLQCAX-VMPITWQZSA-N
MW141.19 g/mol
LogP2.71
Rot. Bonds3

About N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine

N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine (PubChem CID 178114617) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine
PubChem CID178114617
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC NameN-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine
SMILESC=N/C=C(/F)C(=C)C(C)C
InChIInChI=1S/C8H12FN/c1-6(2)7(3)8(9)5-10-4/h5-6H,3-4H2,1-2H3/b8-5+
InChIKeyXGSGNRKZCLQCAX-VMPITWQZSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(E)-2-methylbut-1-enyl]methanimidoyl fluoride
CID 89513791
N-(2-fluoro-3-methylbuta-1,3-dienyl)methanimine
CID 123320493
N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 126510384
N-[(E)-3-fluoro-2-methylbut-1-enyl]methanimine
CID 130279947
N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine
CID 142421723
N-[(E)-1-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine
CID 142422449
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine
CID 143420581
N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 143467349
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidoyl fluoride
CID 146650849
N-[(1E,3E)-2,4-difluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 156418144
N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine
CID 163369917
N-[(1E,3E)-2-fluoro-4,5-dimethylhexa-1,3-dienyl]methanimine
CID 166881133

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine (CID 178114617) is N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine is C=N/C=C(/F)C(=C)C(C)C.
What is the InChIKey of N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine?
The InChIKey is XGSGNRKZCLQCAX-VMPITWQZSA-N. The full InChI is InChI=1S/C8H12FN/c1-6(2)7(3)8(9)5-10-4/h5-6H,3-4H2,1-2H3/b8-5+.
What are the key properties of N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine?
N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine has a molecular weight of 141.19 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine is sourced from PubChem (CID 178114617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).