N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine

C9H14FN — CID 126510384

IUPACN-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C(/C)F)C(C)C
InChIInChI=1S/C9H14FN/c1-7(2)9(6-11-4)5-8(3)10/h5-7H,4H2,1-3H3/b8-5+,9-6+
InChIKeyKQHUYMJBCOXMLV-XVYDYJIPSA-N
MW155.22 g/mol
LogP3.10
Rot. Bonds3

About N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine

N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine (PubChem CID 126510384) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
PubChem CID126510384
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC NameN-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C(/C)F)C(C)C
InChIInChI=1S/C9H14FN/c1-7(2)9(6-11-4)5-8(3)10/h5-7H,4H2,1-3H3/b8-5+,9-6+
InChIKeyKQHUYMJBCOXMLV-XVYDYJIPSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 53.10
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-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]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-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine (CID 126510384) is N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine is C=N/C=C(\C=C(/C)F)C(C)C.
What is the InChIKey of N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine?
The InChIKey is KQHUYMJBCOXMLV-XVYDYJIPSA-N. The full InChI is InChI=1S/C9H14FN/c1-7(2)9(6-11-4)5-8(3)10/h5-7H,4H2,1-3H3/b8-5+,9-6+.
What are the key properties of N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine?
N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine has a molecular weight of 155.22 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 126510384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).