N-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine

C8H12FN — CID 171519505

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

About N-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine

N-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine (PubChem CID 171519505) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is N-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
PubChem CID171519505
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC NameN-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
SMILESC=C/C(F)=C(\N=C)C(C)C
InChIInChI=1S/C8H12FN/c1-5-7(9)8(10-4)6(2)3/h5-6H,1,4H2,2-3H3/b8-7+
InChIKeyRIDRJSABYUUCAI-BQYQJAHWSA-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-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine 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-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine (CID 171519505) is N-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine is C=C/C(F)=C(\N=C)C(C)C.
What is the InChIKey of N-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine?
The InChIKey is RIDRJSABYUUCAI-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H12FN/c1-5-7(9)8(10-4)6(2)3/h5-6H,1,4H2,2-3H3/b8-7+.
What are the key properties of N-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine?
N-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]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-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 171519505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).