[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine

C12H24N4 — CID 105249942

IUPAC[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)C1CN2CCN1CC2
InChIInChI=1S/C12H24N4/c1-10(2)3-4-11(14-13)12-9-15-5-7-16(12)8-6-15/h11-12,14H,1,3-9,13H2,2H3
InChIKeyJJSWYIBWZWWNRN-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.17
Rot. Bonds5

About [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine

[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine (PubChem CID 105249942) 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)-4-methylpent-4-enyl]hydrazine.

Molecular Properties

Compound Name[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine
PubChem CID105249942
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)C1CN2CCN1CC2
InChIInChI=1S/C12H24N4/c1-10(2)3-4-11(14-13)12-9-15-5-7-16(12)8-6-15/h11-12,14H,1,3-9,13H2,2H3
InChIKeyJJSWYIBWZWWNRN-UHFFFAOYSA-N
XLogP0.17
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_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)-4-methylpent-4-enyl]hydrazine?
The IUPAC name of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine (CID 105249942) is [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine.
What is the SMILES notation for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine?
The canonical SMILES for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine is C=C(C)CCC(NN)C1CN2CCN1CC2.
What is the InChIKey of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine?
The InChIKey is JJSWYIBWZWWNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-10(2)3-4-11(14-13)12-9-15-5-7-16(12)8-6-15/h11-12,14H,1,3-9,13H2,2H3.
What are the key properties of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine?
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpent-4-enyl]hydrazine has a molecular weight of 224.35 g/mol, XLogP of 0.17, 5 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)-4-methylpent-4-enyl]hydrazine is sourced from PubChem (CID 105249942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).