[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine

C11H22N4 — CID 105250068

IUPAC[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)C1CN2CCN1CC2
InChIInChI=1S/C11H22N4/c1-9(2)7-10(13-12)11-8-14-3-5-15(11)6-4-14/h10-11,13H,1,3-8,12H2,2H3
InChIKeyATWLKVJNXDMVHI-UHFFFAOYSA-N
MW210.32 g/mol
LogP-0.22
Rot. Bonds4

About [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine

[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine (PubChem CID 105250068) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine.

Molecular Properties

Compound Name[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine
PubChem CID105250068
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)C1CN2CCN1CC2
InChIInChI=1S/C11H22N4/c1-9(2)7-10(13-12)11-8-14-3-5-15(11)6-4-14/h10-11,13H,1,3-8,12H2,2H3
InChIKeyATWLKVJNXDMVHI-UHFFFAOYSA-N
XLogP-0.22
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 5-0.22
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)-3-methylbut-3-enyl]hydrazine?
The IUPAC name of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine (CID 105250068) is [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine.
What is the SMILES notation for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine?
The canonical SMILES for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine is C=C(C)CC(NN)C1CN2CCN1CC2.
What is the InChIKey of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine?
The InChIKey is ATWLKVJNXDMVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(2)7-10(13-12)11-8-14-3-5-15(11)6-4-14/h10-11,13H,1,3-8,12H2,2H3.
What are the key properties of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine?
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylbut-3-enyl]hydrazine has a molecular weight of 210.32 g/mol, XLogP of -0.22, 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)-3-methylbut-3-enyl]hydrazine is sourced from PubChem (CID 105250068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).