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

C14H22N4 — CID 105249950

IUPAC[1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)C2CN3CCN2CC3)c1
InChIInChI=1S/C14H22N4/c1-11-3-2-4-12(9-11)14(16-15)13-10-17-5-7-18(13)8-6-17/h2-4,9,13-14,16H,5-8,10,15H2,1H3
InChIKeyFRMHJUWHWMDXEN-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.50
Rot. Bonds3

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

[1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine (PubChem CID 105249950) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is [1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine
PubChem CID105249950
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name[1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)C2CN3CCN2CC3)c1
InChIInChI=1S/C14H22N4/c1-11-3-2-4-12(9-11)14(16-15)13-10-17-5-7-18(13)8-6-17/h2-4,9,13-14,16H,5-8,10,15H2,1H3
InChIKeyFRMHJUWHWMDXEN-UHFFFAOYSA-N
XLogP0.50
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.50
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

[1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250081
[(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249906
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116544818
[(3-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105284946
[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105250125
[2-adamantyl-(3-methylphenyl)methyl]hydrazine
CID 105284960
[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine
CID 105250112
3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine
CID 105249962
1,4-diazabicyclo[2.2.2]octan-2-yl-(4-methylphenyl)methanamine
CID 79969351
[(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249907
[(3-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105200887
[(2,2-dimethylcyclopentyl)-(3-methylphenyl)methyl]hydrazine
CID 107193327

Frequently Asked Questions

What is the IUPAC name of [1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine?
The IUPAC name of [1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine (CID 105249950) is [1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine?
The canonical SMILES for [1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine is Cc1cccc(C(NN)C2CN3CCN2CC3)c1.
What is the InChIKey of [1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine?
The InChIKey is FRMHJUWHWMDXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-3-2-4-12(9-11)14(16-15)13-10-17-5-7-18(13)8-6-17/h2-4,9,13-14,16H,5-8,10,15H2,1H3.
What are the key properties of [1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine?
[1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine has a molecular weight of 246.36 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105249950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).