3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine

C12H20N6 — CID 105249962

IUPAC3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine
SMILESNNC(c1cccnc1N)C1CN2CCN1CC2
InChIInChI=1S/C12H20N6/c13-12-9(2-1-3-15-12)11(16-14)10-8-17-4-6-18(10)7-5-17/h1-3,10-11,16H,4-8,14H2,(H2,13,15)
InChIKeyIWHLVLAEVVVLEN-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.83
Rot. Bonds3

About 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine

3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine (PubChem CID 105249962) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine
PubChem CID105249962
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine
SMILESNNC(c1cccnc1N)C1CN2CCN1CC2
InChIInChI=1S/C12H20N6/c13-12-9(2-1-3-15-12)11(16-14)10-8-17-4-6-18(10)7-5-17/h1-3,10-11,16H,4-8,14H2,(H2,13,15)
InChIKeyIWHLVLAEVVVLEN-UHFFFAOYSA-N
XLogP-0.83
TPSA83.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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(ethylamino)methyl]pyridin-2-amine
CID 79974436
[(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249907
3-[cyclopentyl(hydrazinyl)methyl]pyridin-2-amine
CID 105204361
[1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249896
3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine
CID 105224736
[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine
CID 105250112
3-[hydrazinyl-(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 105233187
3-[hydrazinyl-(4-propylmorpholin-2-yl)methyl]pyridin-2-amine
CID 105247869
[(4-bromo-3-chloro-2-fluorophenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 106765337
[1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250081
3-[(3-ethylcyclohexyl)-hydrazinylmethyl]pyridin-2-amine
CID 105232901
3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
CID 79093449

Frequently Asked Questions

What is the IUPAC name of 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine?
The IUPAC name of 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine (CID 105249962) is 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine is NNC(c1cccnc1N)C1CN2CCN1CC2.
What is the InChIKey of 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine?
The InChIKey is IWHLVLAEVVVLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c13-12-9(2-1-3-15-12)11(16-14)10-8-17-4-6-18(10)7-5-17/h1-3,10-11,16H,4-8,14H2,(H2,13,15).
What are the key properties of 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine?
3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine has a molecular weight of 248.33 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 105249962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).