(2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine

C15H24FNO — CID 166944290

IUPAC(2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine
SMILESC=C(C)/C(C)=C(\C)NC/C=C\C(F)=C/COCC
InChIInChI=1S/C15H24FNO/c1-6-18-11-9-15(16)8-7-10-17-14(5)13(4)12(2)3/h7-9,17H,2,6,10-11H2,1,3-5H3/b8-7-,14-13+,15-9+
InChIKeyPEUXKTGYVJBIJH-RFUKOCTISA-N
MW253.36 g/mol
LogP3.89
Rot. Bonds8

About (2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine

(2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine (PubChem CID 166944290) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is (2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine
PubChem CID166944290
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name(2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine
SMILESC=C(C)/C(C)=C(\C)NC/C=C\C(F)=C/COCC
InChIInChI=1S/C15H24FNO/c1-6-18-11-9-15(16)8-7-10-17-14(5)13(4)12(2)3/h7-9,17H,2,6,10-11H2,1,3-5H3/b8-7-,14-13+,15-9+
InChIKeyPEUXKTGYVJBIJH-RFUKOCTISA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine (CID 166944290) is (2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine is C=C(C)/C(C)=C(\C)NC/C=C\C(F)=C/COCC.
What is the InChIKey of (2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine?
The InChIKey is PEUXKTGYVJBIJH-RFUKOCTISA-N. The full InChI is InChI=1S/C15H24FNO/c1-6-18-11-9-15(16)8-7-10-17-14(5)13(4)12(2)3/h7-9,17H,2,6,10-11H2,1,3-5H3/b8-7-,14-13+,15-9+.
What are the key properties of (2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine?
(2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine is sourced from PubChem (CID 166944290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).