1-(oxan-4-yl)pent-4-ynylhydrazine

C10H18N2O — CID 105229653

IUPAC1-(oxan-4-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)C1CCOCC1
InChIInChI=1S/C10H18N2O/c1-2-3-4-10(12-11)9-5-7-13-8-6-9/h1,9-10,12H,3-8,11H2
InChIKeyCLPMLMMGPUTVOG-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.66
Rot. Bonds4

About 1-(oxan-4-yl)pent-4-ynylhydrazine

1-(oxan-4-yl)pent-4-ynylhydrazine (PubChem CID 105229653) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(oxan-4-yl)pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-(oxan-4-yl)pent-4-ynylhydrazine
PubChem CID105229653
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(oxan-4-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)C1CCOCC1
InChIInChI=1S/C10H18N2O/c1-2-3-4-10(12-11)9-5-7-13-8-6-9/h1,9-10,12H,3-8,11H2
InChIKeyCLPMLMMGPUTVOG-UHFFFAOYSA-N
XLogP0.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
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 1-(oxan-4-yl)pent-4-ynylhydrazine?
The IUPAC name of 1-(oxan-4-yl)pent-4-ynylhydrazine (CID 105229653) is 1-(oxan-4-yl)pent-4-ynylhydrazine.
What is the SMILES notation for 1-(oxan-4-yl)pent-4-ynylhydrazine?
The canonical SMILES for 1-(oxan-4-yl)pent-4-ynylhydrazine is C#CCCC(NN)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)pent-4-ynylhydrazine?
The InChIKey is CLPMLMMGPUTVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-4-10(12-11)9-5-7-13-8-6-9/h1,9-10,12H,3-8,11H2.
What are the key properties of 1-(oxan-4-yl)pent-4-ynylhydrazine?
1-(oxan-4-yl)pent-4-ynylhydrazine has a molecular weight of 182.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)pent-4-ynylhydrazine is sourced from PubChem (CID 105229653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).