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

C11H17BrN4O — CID 105250113

IUPAC[(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
SMILESNNC(c1occc1Br)C1CN2CCN1CC2
InChIInChI=1S/C11H17BrN4O/c12-8-1-6-17-11(8)10(14-13)9-7-15-2-4-16(9)5-3-15/h1,6,9-10,14H,2-5,7,13H2
InChIKeyPSFGXVHNGWCELR-UHFFFAOYSA-N
MW301.19 g/mol
LogP0.55
Rot. Bonds3

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

[(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine (PubChem CID 105250113) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is [(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
PubChem CID105250113
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name[(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
SMILESNNC(c1occc1Br)C1CN2CCN1CC2
InChIInChI=1S/C11H17BrN4O/c12-8-1-6-17-11(8)10(14-13)9-7-15-2-4-16(9)5-3-15/h1,6,9-10,14H,2-5,7,13H2
InChIKeyPSFGXVHNGWCELR-UHFFFAOYSA-N
XLogP0.55
TPSA57.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 50.55
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

[(3-bromofuran-2-yl)-cyclobutylmethyl]hydrazine
CID 105224577
[(4-bromo-3-chloro-2-fluorophenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 106765337
[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105250125
[(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methyl]hydrazine
CID 105232797
[(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259746
[1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine
CID 105249950
[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249455
3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine
CID 105249962
[(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249906
[(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249907
[1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250081
N-[1,4-diazabicyclo[2.2.2]octan-2-yl(furan-3-yl)methyl]ethanamine
CID 79974921

Frequently Asked Questions

What is the IUPAC name of [(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The IUPAC name of [(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine (CID 105250113) is [(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine is NNC(c1occc1Br)C1CN2CCN1CC2.
What is the InChIKey of [(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The InChIKey is PSFGXVHNGWCELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c12-8-1-6-17-11(8)10(14-13)9-7-15-2-4-16(9)5-3-15/h1,6,9-10,14H,2-5,7,13H2.
What are the key properties of [(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
[(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine has a molecular weight of 301.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105250113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).