1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine

C12H20N4 — CID 106559040

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine
SMILESCCNc1nccn1C1CN2CCC1CC2
InChIInChI=1S/C12H20N4/c1-2-13-12-14-5-8-16(12)11-9-15-6-3-10(11)4-7-15/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,13,14)
InChIKeyUYONWKLOLMTXBW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds3

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine

1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine (PubChem CID 106559040) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine
PubChem CID106559040
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine
SMILESCCNc1nccn1C1CN2CCC1CC2
InChIInChI=1S/C12H20N4/c1-2-13-12-14-5-8-16(12)11-9-15-6-3-10(11)4-7-15/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,13,14)
InChIKeyUYONWKLOLMTXBW-UHFFFAOYSA-N
XLogP1.58
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine
CID 106559035
1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine
CID 106559039
N-ethyl-1-(oxolan-3-yl)imidazol-2-amine
CID 106577306
N-ethyl-1-(oxan-3-yl)imidazol-2-amine
CID 106573282
1-(2-cyclopropylethyl)-N-ethylimidazol-2-amine
CID 106575831
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine
CID 106567867
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-(2-cyclopentylethyl)-N-ethylimidazol-2-amine
CID 106563426
1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine
CID 106575467
N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine
CID 106572877
N-butyl-1-(2-methylcyclohexyl)imidazol-2-amine
CID 106558945
1-(cyclobutylmethyl)-N-ethylimidazol-2-amine
CID 106561466

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine (CID 106559040) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine is CCNc1nccn1C1CN2CCC1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine?
The InChIKey is UYONWKLOLMTXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-13-12-14-5-8-16(12)11-9-15-6-3-10(11)4-7-15/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,13,14).
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine?
1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine is sourced from PubChem (CID 106559040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).