(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine

C14H24FN — CID 142309003

IUPAC(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine
SMILESC/C=C(\C=C/C(=C\C)N(C)CCF)C(C)C
InChIInChI=1S/C14H24FN/c1-6-13(12(3)4)8-9-14(7-2)16(5)11-10-15/h6-9,12H,10-11H2,1-5H3/b9-8-,13-6+,14-7+
InChIKeyPRRIVIYTNGQGOG-TZDILNBQSA-N
MW225.35 g/mol
LogP3.95
Rot. Bonds6

About (2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine

(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine (PubChem CID 142309003) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is (2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine
PubChem CID142309003
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine
SMILESC/C=C(\C=C/C(=C\C)N(C)CCF)C(C)C
InChIInChI=1S/C14H24FN/c1-6-13(12(3)4)8-9-14(7-2)16(5)11-10-15/h6-9,12H,10-11H2,1-5H3/b9-8-,13-6+,14-7+
InChIKeyPRRIVIYTNGQGOG-TZDILNBQSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-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 (2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine (CID 142309003) is (2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine is C/C=C(\C=C/C(=C\C)N(C)CCF)C(C)C.
What is the InChIKey of (2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine?
The InChIKey is PRRIVIYTNGQGOG-TZDILNBQSA-N. The full InChI is InChI=1S/C14H24FN/c1-6-13(12(3)4)8-9-14(7-2)16(5)11-10-15/h6-9,12H,10-11H2,1-5H3/b9-8-,13-6+,14-7+.
What are the key properties of (2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine?
(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine has a molecular weight of 225.35 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine is sourced from PubChem (CID 142309003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).