(Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine

C11H17NO — CID 166875155

IUPAC(Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine
SMILESC#CC(/C=C\C(C)OCC)=N\CC
InChIInChI=1S/C11H17NO/c1-5-11(12-6-2)9-8-10(4)13-7-3/h1,8-10H,6-7H2,2-4H3/b9-8-,12-11+
InChIKeyUQTFBUFLAKBKPB-UONSLQGUSA-N
MW179.26 g/mol
LogP2.06
Rot. Bonds5

About (Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine

(Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine (PubChem CID 166875155) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine.

Molecular Properties

Compound Name(Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine
PubChem CID166875155
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine
SMILESC#CC(/C=C\C(C)OCC)=N\CC
InChIInChI=1S/C11H17NO/c1-5-11(12-6-2)9-8-10(4)13-7-3/h1,8-10H,6-7H2,2-4H3/b9-8-,12-11+
InChIKeyUQTFBUFLAKBKPB-UONSLQGUSA-N
XLogP2.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine?
The IUPAC name of (Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine (CID 166875155) is (Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine.
What is the SMILES notation for (Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine?
The canonical SMILES for (Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine is C#CC(/C=C\C(C)OCC)=N\CC.
What is the InChIKey of (Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine?
The InChIKey is UQTFBUFLAKBKPB-UONSLQGUSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-11(12-6-2)9-8-10(4)13-7-3/h1,8-10H,6-7H2,2-4H3/b9-8-,12-11+.
What are the key properties of (Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine?
(Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine has a molecular weight of 179.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-ethoxy-N-ethylhept-4-en-1-yn-3-imine is sourced from PubChem (CID 166875155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).