2-ethoxyhept-6-yn-3-ylhydrazine

C9H18N2O — CID 105222839

IUPAC2-ethoxyhept-6-yn-3-ylhydrazine
SMILESC#CCCC(NN)C(C)OCC
InChIInChI=1S/C9H18N2O/c1-4-6-7-9(11-10)8(3)12-5-2/h1,8-9,11H,5-7,10H2,2-3H3
InChIKeyDZEMUAJSEVIYAY-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.66
Rot. Bonds6

About 2-ethoxyhept-6-yn-3-ylhydrazine

2-ethoxyhept-6-yn-3-ylhydrazine (PubChem CID 105222839) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-ethoxyhept-6-yn-3-ylhydrazine.

Molecular Properties

Compound Name2-ethoxyhept-6-yn-3-ylhydrazine
PubChem CID105222839
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-ethoxyhept-6-yn-3-ylhydrazine
SMILESC#CCCC(NN)C(C)OCC
InChIInChI=1S/C9H18N2O/c1-4-6-7-9(11-10)8(3)12-5-2/h1,8-9,11H,5-7,10H2,2-3H3
InChIKeyDZEMUAJSEVIYAY-UHFFFAOYSA-N
XLogP0.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyhept-6-yn-3-ylhydrazine?
The IUPAC name of 2-ethoxyhept-6-yn-3-ylhydrazine (CID 105222839) is 2-ethoxyhept-6-yn-3-ylhydrazine.
What is the SMILES notation for 2-ethoxyhept-6-yn-3-ylhydrazine?
The canonical SMILES for 2-ethoxyhept-6-yn-3-ylhydrazine is C#CCCC(NN)C(C)OCC.
What is the InChIKey of 2-ethoxyhept-6-yn-3-ylhydrazine?
The InChIKey is DZEMUAJSEVIYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-6-7-9(11-10)8(3)12-5-2/h1,8-9,11H,5-7,10H2,2-3H3.
What are the key properties of 2-ethoxyhept-6-yn-3-ylhydrazine?
2-ethoxyhept-6-yn-3-ylhydrazine has a molecular weight of 170.26 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyhept-6-yn-3-ylhydrazine is sourced from PubChem (CID 105222839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).