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

C16H24N4O — CID 105249906

IUPAC[(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(OC2CC2)cc1)C1CN2CCN1CC2
InChIInChI=1S/C16H24N4O/c17-18-16(15-11-19-7-9-20(15)10-8-19)12-1-3-13(4-2-12)21-14-5-6-14/h1-4,14-16,18H,5-11,17H2
InChIKeyZLIAXJJLYKVHTL-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.73
Rot. Bonds5

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

[(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine (PubChem CID 105249906) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
PubChem CID105249906
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(OC2CC2)cc1)C1CN2CCN1CC2
InChIInChI=1S/C16H24N4O/c17-18-16(15-11-19-7-9-20(15)10-8-19)12-1-3-13(4-2-12)21-14-5-6-14/h1-4,14-16,18H,5-11,17H2
InChIKeyZLIAXJJLYKVHTL-UHFFFAOYSA-N
XLogP0.73
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.73
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

(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol
CID 114519106
[1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine
CID 105249950
[(4-cyclopropyloxyphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105341053
[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine
CID 105250112
[(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249907
N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(4-methoxyphenyl)methyl]propan-1-amine
CID 79960983
[1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250081
[(4-cyclopropyloxyphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105231410
[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249218
[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105250125
[1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105249920
[(4-cyclopropyloxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194287

Frequently Asked Questions

What is the IUPAC name of [(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The IUPAC name of [(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine (CID 105249906) is [(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine is NNC(c1ccc(OC2CC2)cc1)C1CN2CCN1CC2.
What is the InChIKey of [(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The InChIKey is ZLIAXJJLYKVHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-18-16(15-11-19-7-9-20(15)10-8-19)12-1-3-13(4-2-12)21-14-5-6-14/h1-4,14-16,18H,5-11,17H2.
What are the key properties of [(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
[(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine has a molecular weight of 288.39 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105249906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).