(2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine

C14H24FN — CID 142309239

IUPAC(2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine
SMILESC=C/C(=C\C=C(/C)C(C)C)CN(C)CCF
InChIInChI=1S/C14H24FN/c1-6-14(11-16(5)10-9-15)8-7-13(4)12(2)3/h6-8,12H,1,9-11H2,2-5H3/b13-7+,14-8+
InChIKeyAMJHNQMKKMMEIV-FNCQTZNRSA-N
MW225.35 g/mol
LogP3.60
Rot. Bonds7

About (2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine

(2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine (PubChem CID 142309239) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine
PubChem CID142309239
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name(2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine
SMILESC=C/C(=C\C=C(/C)C(C)C)CN(C)CCF
InChIInChI=1S/C14H24FN/c1-6-14(11-16(5)10-9-15)8-7-13(4)12(2)3/h6-8,12H,1,9-11H2,2-5H3/b13-7+,14-8+
InChIKeyAMJHNQMKKMMEIV-FNCQTZNRSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine (CID 142309239) is (2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine is C=C/C(=C\C=C(/C)C(C)C)CN(C)CCF.
What is the InChIKey of (2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine?
The InChIKey is AMJHNQMKKMMEIV-FNCQTZNRSA-N. The full InChI is InChI=1S/C14H24FN/c1-6-14(11-16(5)10-9-15)8-7-13(4)12(2)3/h6-8,12H,1,9-11H2,2-5H3/b13-7+,14-8+.
What are the key properties of (2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine?
(2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine has a molecular weight of 225.35 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine is sourced from PubChem (CID 142309239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).