1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine

C14H28N4 — CID 107012569

IUPAC1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine
SMILESC=CCCCCCC(NN)C1CN2CCN1CC2
InChIInChI=1S/C14H28N4/c1-2-3-4-5-6-7-13(16-15)14-12-17-8-10-18(14)11-9-17/h2,13-14,16H,1,3-12,15H2
InChIKeyIIYCBNHIYFGWCE-UHFFFAOYSA-N
MW252.41 g/mol
LogP0.95
Rot. Bonds8

About 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine (PubChem CID 107012569) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine.

Molecular Properties

Compound Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine
PubChem CID107012569
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine
SMILESC=CCCCCCC(NN)C1CN2CCN1CC2
InChIInChI=1S/C14H28N4/c1-2-3-4-5-6-7-13(16-15)14-12-17-8-10-18(14)11-9-17/h2,13-14,16H,1,3-12,15H2
InChIKeyIIYCBNHIYFGWCE-UHFFFAOYSA-N
XLogP0.95
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-Diazabicyclo[2.2.2]octan-2-yl)hex-5-en-1-amine
CID 79969213
1-(1,4-Diazabicyclo[2.2.2]octan-2-yl)pent-4-en-1-amine
CID 79974489
1-(1,4-Dimethylpiperazin-2-yl)hex-5-enylhydrazine
CID 105247193
1-(1,4-Dimethylpiperazin-2-yl)pent-4-enylhydrazine
CID 105247279
1-(1,4-Diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine
CID 105249868
1-(1,4-Diazabicyclo[2.2.2]octan-2-yl)prop-2-enylhydrazine
CID 105249870
[1-(1,4-Diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine
CID 105249942
1-(1,4-Diazabicyclo[2.2.2]octan-2-yl)pent-4-enylhydrazine
CID 105249955
1-(1,4-Diazabicyclo[2.2.2]octan-2-yl)but-3-enylhydrazine
CID 105250005
[1-(1,4-Diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine
CID 105250068
[1-(1,4-Diazabicyclo[2.2.2]octan-2-yl)-3-methylidenepentyl]hydrazine
CID 105250076
[1-(1,4-Diazabicyclo[2.2.2]octan-2-yl)-2-methylprop-2-enyl]hydrazine
CID 105250077

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine?
The IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine (CID 107012569) is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine.
What is the SMILES notation for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine?
The canonical SMILES for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine is C=CCCCCCC(NN)C1CN2CCN1CC2.
What is the InChIKey of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine?
The InChIKey is IIYCBNHIYFGWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-2-3-4-5-6-7-13(16-15)14-12-17-8-10-18(14)11-9-17/h2,13-14,16H,1,3-12,15H2.
What are the key properties of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine?
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine has a molecular weight of 252.41 g/mol, XLogP of 0.95, 8 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)oct-7-enylhydrazine is sourced from PubChem (CID 107012569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).