1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine

C12H24N4 — CID 105249868

IUPAC1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine
SMILESC=CCCCC(NN)C1CN2CCN1CC2
InChIInChI=1S/C12H24N4/c1-2-3-4-5-11(14-13)12-10-15-6-8-16(12)9-7-15/h2,11-12,14H,1,3-10,13H2
InChIKeyAFTPDEATHKESBV-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.17
Rot. Bonds6

About 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine (PubChem CID 105249868) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine.

Molecular Properties

Compound Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine
PubChem CID105249868
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine
SMILESC=CCCCC(NN)C1CN2CCN1CC2
InChIInChI=1S/C12H24N4/c1-2-3-4-5-11(14-13)12-10-15-6-8-16(12)9-7-15/h2,11-12,14H,1,3-10,13H2
InChIKeyAFTPDEATHKESBV-UHFFFAOYSA-N
XLogP0.17
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.17
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)oct-7-enylhydrazine
CID 107012569
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pentylhydrazine
CID 105249829
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105249934
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine
CID 105249960
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105249872
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105249842
1-cycloheptyloct-7-enylhydrazine
CID 107012509
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105250055
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)hex-5-enylhydrazine
CID 105311234
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105250047
1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine
CID 105311422
1-(4-tert-butylcyclohexyl)oct-7-enylhydrazine
CID 107012511

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine?
The IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine (CID 105249868) is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine.
What is the SMILES notation for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine?
The canonical SMILES for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine is C=CCCCC(NN)C1CN2CCN1CC2.
What is the InChIKey of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine?
The InChIKey is AFTPDEATHKESBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-2-3-4-5-11(14-13)12-10-15-6-8-16(12)9-7-15/h2,11-12,14H,1,3-10,13H2.
What are the key properties of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine?
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine has a molecular weight of 224.35 g/mol, XLogP of 0.17, 6 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)hex-5-enylhydrazine is sourced from PubChem (CID 105249868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).