(2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine

C12H20FN — CID 166651513

IUPAC(2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine
SMILESC=CN(C)C/C=C\C(=C/C)C(C)(C)F
InChIInChI=1S/C12H20FN/c1-6-11(12(3,4)13)9-8-10-14(5)7-2/h6-9H,2,10H2,1,3-5H3/b9-8-,11-6+
InChIKeyKTKQABSHOZMMQJ-XSONURMYSA-N
MW197.30 g/mol
LogP3.31
Rot. Bonds5

About (2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine

(2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine (PubChem CID 166651513) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine
PubChem CID166651513
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine
SMILESC=CN(C)C/C=C\C(=C/C)C(C)(C)F
InChIInChI=1S/C12H20FN/c1-6-11(12(3,4)13)9-8-10-14(5)7-2/h6-9H,2,10H2,1,3-5H3/b9-8-,11-6+
InChIKeyKTKQABSHOZMMQJ-XSONURMYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-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)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine (CID 166651513) is (2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine is C=CN(C)C/C=C\C(=C/C)C(C)(C)F.
What is the InChIKey of (2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine?
The InChIKey is KTKQABSHOZMMQJ-XSONURMYSA-N. The full InChI is InChI=1S/C12H20FN/c1-6-11(12(3,4)13)9-8-10-14(5)7-2/h6-9H,2,10H2,1,3-5H3/b9-8-,11-6+.
What are the key properties of (2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine?
(2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine has a molecular weight of 197.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine is sourced from PubChem (CID 166651513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).