5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide

C15H25FN2O2 — CID 123872335

IUPAC5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide
SMILESCCN(CC)C(=O)C(C)=CC=C(C)OCC(=CF)CN
InChIInChI=1S/C15H25FN2O2/c1-5-18(6-2)15(19)12(3)7-8-13(4)20-11-14(9-16)10-17/h7-9H,5-6,10-11,17H2,1-4H3
InChIKeyHUWNORMLUCIJDB-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.53
Rot. Bonds8

About 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide

5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide (PubChem CID 123872335) has the molecular formula C15H25FN2O2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide.

Molecular Properties

Compound Name5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide
PubChem CID123872335
Molecular FormulaC15H25FN2O2
Molecular Weight284.38 g/mol
Exact Mass284.19
IUPAC Name5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide
SMILESCCN(CC)C(=O)C(C)=CC=C(C)OCC(=CF)CN
InChIInChI=1S/C15H25FN2O2/c1-5-18(6-2)15(19)12(3)7-8-13(4)20-11-14(9-16)10-17/h7-9H,5-6,10-11,17H2,1-4H3
InChIKeyHUWNORMLUCIJDB-UHFFFAOYSA-N
XLogP2.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide 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 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide?
The IUPAC name of 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide (CID 123872335) is 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide.
What is the SMILES notation for 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide?
The canonical SMILES for 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide is CCN(CC)C(=O)C(C)=CC=C(C)OCC(=CF)CN.
What is the InChIKey of 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide?
The InChIKey is HUWNORMLUCIJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-5-18(6-2)15(19)12(3)7-8-13(4)20-11-14(9-16)10-17/h7-9H,5-6,10-11,17H2,1-4H3.
What are the key properties of 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide?
5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide has a molecular weight of 284.38 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethyl-2-methylhexa-2,4-dienamide is sourced from PubChem (CID 123872335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).