1-propoxyhex-5-yn-2-ylhydrazine

C9H18N2O — CID 105210005

IUPAC1-propoxyhex-5-yn-2-ylhydrazine
SMILESC#CCCC(COCCC)NN
InChIInChI=1S/C9H18N2O/c1-3-5-6-9(11-10)8-12-7-4-2/h1,9,11H,4-8,10H2,2H3
InChIKeyZZYLGTFWXZHASS-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.66
Rot. Bonds7

About 1-propoxyhex-5-yn-2-ylhydrazine

1-propoxyhex-5-yn-2-ylhydrazine (PubChem CID 105210005) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-propoxyhex-5-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-propoxyhex-5-yn-2-ylhydrazine
PubChem CID105210005
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-propoxyhex-5-yn-2-ylhydrazine
SMILESC#CCCC(COCCC)NN
InChIInChI=1S/C9H18N2O/c1-3-5-6-9(11-10)8-12-7-4-2/h1,9,11H,4-8,10H2,2H3
InChIKeyZZYLGTFWXZHASS-UHFFFAOYSA-N
XLogP0.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-propoxyhex-5-yn-2-ylhydrazine?
The IUPAC name of 1-propoxyhex-5-yn-2-ylhydrazine (CID 105210005) is 1-propoxyhex-5-yn-2-ylhydrazine.
What is the SMILES notation for 1-propoxyhex-5-yn-2-ylhydrazine?
The canonical SMILES for 1-propoxyhex-5-yn-2-ylhydrazine is C#CCCC(COCCC)NN.
What is the InChIKey of 1-propoxyhex-5-yn-2-ylhydrazine?
The InChIKey is ZZYLGTFWXZHASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-5-6-9(11-10)8-12-7-4-2/h1,9,11H,4-8,10H2,2H3.
What are the key properties of 1-propoxyhex-5-yn-2-ylhydrazine?
1-propoxyhex-5-yn-2-ylhydrazine has a molecular weight of 170.26 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxyhex-5-yn-2-ylhydrazine is sourced from PubChem (CID 105210005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).