(E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol

C17H25NO — CID 177153555

IUPAC(E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol
SMILESCC/C=C/C(CO)=C(/C)N(C)c1ccc(CC)cc1
InChIInChI=1S/C17H25NO/c1-5-7-8-16(13-19)14(3)18(4)17-11-9-15(6-2)10-12-17/h7-12,19H,5-6,13H2,1-4H3/b8-7+,16-14+
InChIKeyMYZDTUNLBAKCPV-QZUHXJACSA-N
MW259.39 g/mol
LogP3.92
Rot. Bonds6

About (E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol

(E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol (PubChem CID 177153555) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol.

Molecular Properties

Compound Name(E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol
PubChem CID177153555
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol
SMILESCC/C=C/C(CO)=C(/C)N(C)c1ccc(CC)cc1
InChIInChI=1S/C17H25NO/c1-5-7-8-16(13-19)14(3)18(4)17-11-9-15(6-2)10-12-17/h7-12,19H,5-6,13H2,1-4H3/b8-7+,16-14+
InChIKeyMYZDTUNLBAKCPV-QZUHXJACSA-N
XLogP3.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol?
The IUPAC name of (E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol (CID 177153555) is (E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol.
What is the SMILES notation for (E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol?
The canonical SMILES for (E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol is CC/C=C/C(CO)=C(/C)N(C)c1ccc(CC)cc1.
What is the InChIKey of (E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol?
The InChIKey is MYZDTUNLBAKCPV-QZUHXJACSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-7-8-16(13-19)14(3)18(4)17-11-9-15(6-2)10-12-17/h7-12,19H,5-6,13H2,1-4H3/b8-7+,16-14+.
What are the key properties of (E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol?
(E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol has a molecular weight of 259.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-[1-(4-ethyl-N-methylanilino)ethylidene]hex-3-en-1-ol is sourced from PubChem (CID 177153555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).