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

C9H18N4 — CID 105249870

IUPAC1-(1,4-diazabicyclo[2.2.2]octan-2-yl)prop-2-enylhydrazine
SMILESC=CC(NN)C1CN2CCN1CC2
InChIInChI=1S/C9H18N4/c1-2-8(11-10)9-7-12-3-5-13(9)6-4-12/h2,8-9,11H,1,3-7,10H2
InChIKeyKCKDCTGKODTWFI-UHFFFAOYSA-N
MW182.27 g/mol
LogP-1.00
Rot. Bonds3

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

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)prop-2-enylhydrazine (PubChem CID 105249870) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)prop-2-enylhydrazine.

Molecular Properties

Compound Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)prop-2-enylhydrazine
PubChem CID105249870
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)prop-2-enylhydrazine
SMILESC=CC(NN)C1CN2CCN1CC2
InChIInChI=1S/C9H18N4/c1-2-8(11-10)9-7-12-3-5-13(9)6-4-12/h2,8-9,11H,1,3-7,10H2
InChIKeyKCKDCTGKODTWFI-UHFFFAOYSA-N
XLogP-1.00
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-1.00
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)prop-2-enylhydrazine?
The IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)prop-2-enylhydrazine (CID 105249870) is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)prop-2-enylhydrazine.
What is the SMILES notation for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)prop-2-enylhydrazine?
The canonical SMILES for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)prop-2-enylhydrazine is C=CC(NN)C1CN2CCN1CC2.
What is the InChIKey of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)prop-2-enylhydrazine?
The InChIKey is KCKDCTGKODTWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-2-8(11-10)9-7-12-3-5-13(9)6-4-12/h2,8-9,11H,1,3-7,10H2.
What are the key properties of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)prop-2-enylhydrazine?
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)prop-2-enylhydrazine has a molecular weight of 182.27 g/mol, XLogP of -1.00, 3 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)prop-2-enylhydrazine is sourced from PubChem (CID 105249870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).