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

C17H26N4 — CID 105249907

IUPAC[(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
SMILESNNC(c1ccccc1C1CCC1)C1CN2CCN1CC2
InChIInChI=1S/C17H26N4/c18-19-17(16-12-20-8-10-21(16)11-9-20)15-7-2-1-6-14(15)13-4-3-5-13/h1-2,6-7,13,16-17,19H,3-5,8-12,18H2
InChIKeyITQPEXSOQPMGHL-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.46
Rot. Bonds4

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

[(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine (PubChem CID 105249907) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is [(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
PubChem CID105249907
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name[(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
SMILESNNC(c1ccccc1C1CCC1)C1CN2CCN1CC2
InChIInChI=1S/C17H26N4/c18-19-17(16-12-20-8-10-21(16)11-9-20)15-7-2-1-6-14(15)13-4-3-5-13/h1-2,6-7,13,16-17,19H,3-5,8-12,18H2
InChIKeyITQPEXSOQPMGHL-UHFFFAOYSA-N
XLogP1.46
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine
CID 105249962
[1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249896
1-(2-cyclobutylphenyl)ethylhydrazine
CID 105201232
[(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249906
[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-(3-methylphenyl)methyl]hydrazine
CID 105249950
[2-cyclobutyl-1-(2-cyclobutylphenyl)ethyl]hydrazine
CID 103170854
[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine
CID 105250112
[(4-bromo-3-chloro-2-fluorophenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 106765337
1-(2-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 114602722
[(2-cyclobutylphenyl)-(2-iodophenyl)methyl]hydrazine
CID 105341369
[(2-chlorophenyl)-(2-cyclobutylphenyl)methyl]hydrazine
CID 105211009

Frequently Asked Questions

What is the IUPAC name of [(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The IUPAC name of [(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine (CID 105249907) is [(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine is NNC(c1ccccc1C1CCC1)C1CN2CCN1CC2.
What is the InChIKey of [(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The InChIKey is ITQPEXSOQPMGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c18-19-17(16-12-20-8-10-21(16)11-9-20)15-7-2-1-6-14(15)13-4-3-5-13/h1-2,6-7,13,16-17,19H,3-5,8-12,18H2.
What are the key properties of [(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
[(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine has a molecular weight of 286.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105249907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).