(2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine

C15H24FN — CID 166755575

IUPAC(2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine
SMILESC=CC/C=C/[C@](C)(/C=N/C(=C)CC(C)F)CC
InChIInChI=1S/C15H24FN/c1-6-8-9-10-15(5,7-2)12-17-14(4)11-13(3)16/h6,9-10,12-13H,1,4,7-8,11H2,2-3,5H3/b10-9+,17-12+/t13?,15-/m1/s1
InChIKeyRXQUCAQFEZNONK-GXNJLAJQSA-N
MW237.36 g/mol
LogP4.87
Rot. Bonds8

About (2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine

(2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine (PubChem CID 166755575) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is (2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine.

Molecular Properties

Compound Name(2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine
PubChem CID166755575
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name(2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine
SMILESC=CC/C=C/[C@](C)(/C=N/C(=C)CC(C)F)CC
InChIInChI=1S/C15H24FN/c1-6-8-9-10-15(5,7-2)12-17-14(4)11-13(3)16/h6,9-10,12-13H,1,4,7-8,11H2,2-3,5H3/b10-9+,17-12+/t13?,15-/m1/s1
InChIKeyRXQUCAQFEZNONK-GXNJLAJQSA-N
XLogP4.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine 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 (2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine?
The IUPAC name of (2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine (CID 166755575) is (2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine.
What is the SMILES notation for (2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine?
The canonical SMILES for (2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine is C=CC/C=C/[C@](C)(/C=N/C(=C)CC(C)F)CC.
What is the InChIKey of (2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine?
The InChIKey is RXQUCAQFEZNONK-GXNJLAJQSA-N. The full InChI is InChI=1S/C15H24FN/c1-6-8-9-10-15(5,7-2)12-17-14(4)11-13(3)16/h6,9-10,12-13H,1,4,7-8,11H2,2-3,5H3/b10-9+,17-12+/t13?,15-/m1/s1.
What are the key properties of (2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine?
(2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine has a molecular weight of 237.36 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine is sourced from PubChem (CID 166755575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).