4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine

C14H26FN — CID 123263201

IUPAC4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
SMILESC=C(C)C(F)C(CNC)CC(=CCC)CC
InChIInChI=1S/C14H26FN/c1-6-8-12(7-2)9-13(10-16-5)14(15)11(3)4/h8,13-14,16H,3,6-7,9-10H2,1-2,4-5H3
InChIKeyPONDDNPLGOMDBI-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.87
Rot. Bonds8

About 4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine

4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine (PubChem CID 123263201) has the molecular formula C14H26FN and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
PubChem CID123263201
Molecular FormulaC14H26FN
Molecular Weight227.37 g/mol
Exact Mass227.20
IUPAC Name4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
SMILESC=C(C)C(F)C(CNC)CC(=CCC)CC
InChIInChI=1S/C14H26FN/c1-6-8-12(7-2)9-13(10-16-5)14(15)11(3)4/h8,13-14,16H,3,6-7,9-10H2,1-2,4-5H3
InChIKeyPONDDNPLGOMDBI-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine?
The IUPAC name of 4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine (CID 123263201) is 4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine.
What is the SMILES notation for 4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine?
The canonical SMILES for 4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine is C=C(C)C(F)C(CNC)CC(=CCC)CC.
What is the InChIKey of 4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine?
The InChIKey is PONDDNPLGOMDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN/c1-6-8-12(7-2)9-13(10-16-5)14(15)11(3)4/h8,13-14,16H,3,6-7,9-10H2,1-2,4-5H3.
What are the key properties of 4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine?
4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine is sourced from PubChem (CID 123263201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).