N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine

C16H24FN — CID 123417513

IUPACN-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine
SMILESC=NC(=C(C)C(=CC)C(C)=CC=C(C)F)C(C)C
InChIInChI=1S/C16H24FN/c1-8-15(12(4)9-10-13(5)17)14(6)16(18-7)11(2)3/h8-11H,7H2,1-6H3
InChIKeyICKGQVPFZDYTCV-UHFFFAOYSA-N
MW249.37 g/mol
LogP5.38
Rot. Bonds5

About N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine

N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine (PubChem CID 123417513) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine.

Molecular Properties

Compound NameN-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine
PubChem CID123417513
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine
SMILESC=NC(=C(C)C(=CC)C(C)=CC=C(C)F)C(C)C
InChIInChI=1S/C16H24FN/c1-8-15(12(4)9-10-13(5)17)14(6)16(18-7)11(2)3/h8-11H,7H2,1-6H3
InChIKeyICKGQVPFZDYTCV-UHFFFAOYSA-N
XLogP5.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.37
LogP ≤ 55.38
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine?
The IUPAC name of N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine (CID 123417513) is N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine.
What is the SMILES notation for N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine?
The canonical SMILES for N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine is C=NC(=C(C)C(=CC)C(C)=CC=C(C)F)C(C)C.
What is the InChIKey of N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine?
The InChIKey is ICKGQVPFZDYTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-8-15(12(4)9-10-13(5)17)14(6)16(18-7)11(2)3/h8-11H,7H2,1-6H3.
What are the key properties of N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine?
N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine has a molecular weight of 249.37 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine is sourced from PubChem (CID 123417513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).