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

C13H22N4 — CID 106559035

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1C1CN2CCC1CC2
InChIInChI=1S/C13H22N4/c1-2-5-14-13-15-6-9-17(13)12-10-16-7-3-11(12)4-8-16/h6,9,11-12H,2-5,7-8,10H2,1H3,(H,14,15)
InChIKeyZOWLIOPKNAXUNI-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.97
Rot. Bonds4

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

1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine (PubChem CID 106559035) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine
PubChem CID106559035
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1C1CN2CCC1CC2
InChIInChI=1S/C13H22N4/c1-2-5-14-13-15-6-9-17(13)12-10-16-7-3-11(12)4-8-16/h6,9,11-12H,2-5,7-8,10H2,1H3,(H,14,15)
InChIKeyZOWLIOPKNAXUNI-UHFFFAOYSA-N
XLogP1.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine
CID 106559040
1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine
CID 106559039
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine
CID 106567867
N-propyl-1-(thian-4-yl)imidazol-2-amine
CID 106582155
N-propyl-1-(thiolan-3-yl)imidazol-2-amine
CID 106583171
N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine
CID 106572877
N-butyl-1-(2-methylcyclohexyl)imidazol-2-amine
CID 106558945
1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine
CID 106575467
1-(2-cyclopropylethyl)-N-propylimidazol-2-amine
CID 106575826
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
N-butyl-1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568401

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine (CID 106559035) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine is CCCNc1nccn1C1CN2CCC1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine?
The InChIKey is ZOWLIOPKNAXUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-5-14-13-15-6-9-17(13)12-10-16-7-3-11(12)4-8-16/h6,9,11-12H,2-5,7-8,10H2,1H3,(H,14,15).
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine?
1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.97, 4 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-propylimidazol-2-amine is sourced from PubChem (CID 106559035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).