2-methoxyhept-5-yn-3-ylhydrazine

C8H16N2O — CID 105246883

IUPAC2-methoxyhept-5-yn-3-ylhydrazine
SMILESCC#CCC(NN)C(C)OC
InChIInChI=1S/C8H16N2O/c1-4-5-6-8(10-9)7(2)11-3/h7-8,10H,6,9H2,1-3H3
InChIKeyUIAWRDNGPDJLIN-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.27
Rot. Bonds4

About 2-methoxyhept-5-yn-3-ylhydrazine

2-methoxyhept-5-yn-3-ylhydrazine (PubChem CID 105246883) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-methoxyhept-5-yn-3-ylhydrazine.

Molecular Properties

Compound Name2-methoxyhept-5-yn-3-ylhydrazine
PubChem CID105246883
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-methoxyhept-5-yn-3-ylhydrazine
SMILESCC#CCC(NN)C(C)OC
InChIInChI=1S/C8H16N2O/c1-4-5-6-8(10-9)7(2)11-3/h7-8,10H,6,9H2,1-3H3
InChIKeyUIAWRDNGPDJLIN-UHFFFAOYSA-N
XLogP0.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.27
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-methoxyhept-5-yn-3-ylhydrazine?
The IUPAC name of 2-methoxyhept-5-yn-3-ylhydrazine (CID 105246883) is 2-methoxyhept-5-yn-3-ylhydrazine.
What is the SMILES notation for 2-methoxyhept-5-yn-3-ylhydrazine?
The canonical SMILES for 2-methoxyhept-5-yn-3-ylhydrazine is CC#CCC(NN)C(C)OC.
What is the InChIKey of 2-methoxyhept-5-yn-3-ylhydrazine?
The InChIKey is UIAWRDNGPDJLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-5-6-8(10-9)7(2)11-3/h7-8,10H,6,9H2,1-3H3.
What are the key properties of 2-methoxyhept-5-yn-3-ylhydrazine?
2-methoxyhept-5-yn-3-ylhydrazine has a molecular weight of 156.23 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyhept-5-yn-3-ylhydrazine is sourced from PubChem (CID 105246883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).