(2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine

C10H16FN — CID 166888940

IUPAC(2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine
SMILESCN/C(C)=C\C(C)=C\C=C(/C)F
InChIInChI=1S/C10H16FN/c1-8(5-6-9(2)11)7-10(3)12-4/h5-7,12H,1-4H3/b8-5+,9-6+,10-7-
InChIKeyTVRMFNNGGXCYFS-XNMAASIGSA-N
MW169.24 g/mol
LogP2.93
Rot. Bonds3

About (2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine

(2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine (PubChem CID 166888940) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine
PubChem CID166888940
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine
SMILESCN/C(C)=C\C(C)=C\C=C(/C)F
InChIInChI=1S/C10H16FN/c1-8(5-6-9(2)11)7-10(3)12-4/h5-7,12H,1-4H3/b8-5+,9-6+,10-7-
InChIKeyTVRMFNNGGXCYFS-XNMAASIGSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine 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 (2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine (CID 166888940) is (2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine is CN/C(C)=C\C(C)=C\C=C(/C)F.
What is the InChIKey of (2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine?
The InChIKey is TVRMFNNGGXCYFS-XNMAASIGSA-N. The full InChI is InChI=1S/C10H16FN/c1-8(5-6-9(2)11)7-10(3)12-4/h5-7,12H,1-4H3/b8-5+,9-6+,10-7-.
What are the key properties of (2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine?
(2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine has a molecular weight of 169.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-7-fluoro-N,4-dimethylocta-2,4,6-trien-2-amine is sourced from PubChem (CID 166888940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).