[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine

C15H20N4O — CID 105250125

IUPAC[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
SMILESNNC(c1cc2ccccc2o1)C1CN2CCN1CC2
InChIInChI=1S/C15H20N4O/c16-17-15(12-10-18-5-7-19(12)8-6-18)14-9-11-3-1-2-4-13(11)20-14/h1-4,9,12,15,17H,5-8,10,16H2
InChIKeyROWKZJBGZJLREW-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.94
Rot. Bonds3

About [1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine

[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine (PubChem CID 105250125) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
PubChem CID105250125
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
SMILESNNC(c1cc2ccccc2o1)C1CN2CCN1CC2
InChIInChI=1S/C15H20N4O/c16-17-15(12-10-18-5-7-19(12)8-6-18)14-9-11-3-1-2-4-13(11)20-14/h1-4,9,12,15,17H,5-8,10,16H2
InChIKeyROWKZJBGZJLREW-UHFFFAOYSA-N
XLogP0.94
TPSA57.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol
CID 114727004
[1-benzofuran-2-yl(cyclobutyl)methyl]hydrazine
CID 105218447
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(1-benzofuran-2-yl)methyl]hydrazine
CID 105245205
[1-benzofuran-2-yl(oxolan-3-yl)methyl]hydrazine
CID 105218333
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114730043
[1-benzofuran-2-yl-(2-phenylcyclopropyl)methyl]hydrazine
CID 105218477
[1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine
CID 105249950
[1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine
CID 105337847
[1-benzofuran-2-yl(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
CID 105263056
3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine
CID 105249962
[1-(1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105260307
2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
CID 63897517

Frequently Asked Questions

What is the IUPAC name of [1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The IUPAC name of [1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine (CID 105250125) is [1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The canonical SMILES for [1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine is NNC(c1cc2ccccc2o1)C1CN2CCN1CC2.
What is the InChIKey of [1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The InChIKey is ROWKZJBGZJLREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-17-15(12-10-18-5-7-19(12)8-6-18)14-9-11-3-1-2-4-13(11)20-14/h1-4,9,12,15,17H,5-8,10,16H2.
What are the key properties of [1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine has a molecular weight of 272.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105250125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).