1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine

C11H20N4 — CID 105249960

IUPAC1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)C1CN2CCN1CC2
InChIInChI=1S/C11H20N4/c1-2-3-4-10(13-12)11-9-14-5-7-15(11)8-6-14/h1,10-11,13H,3-9,12H2
InChIKeyHPVGKDIARXLRJT-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.77
Rot. Bonds4

About 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine (PubChem CID 105249960) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine
PubChem CID105249960
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)C1CN2CCN1CC2
InChIInChI=1S/C11H20N4/c1-2-3-4-10(13-12)11-9-14-5-7-15(11)8-6-14/h1,10-11,13H,3-9,12H2
InChIKeyHPVGKDIARXLRJT-UHFFFAOYSA-N
XLogP-0.77
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine?
The IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine (CID 105249960) is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine.
What is the SMILES notation for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine?
The canonical SMILES for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine is C#CCCC(NN)C1CN2CCN1CC2.
What is the InChIKey of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine?
The InChIKey is HPVGKDIARXLRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-3-4-10(13-12)11-9-14-5-7-15(11)8-6-14/h1,10-11,13H,3-9,12H2.
What are the key properties of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine?
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine has a molecular weight of 208.31 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine is sourced from PubChem (CID 105249960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).