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

C14H24N4 — CID 106559039

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)CNc1nccn1C1CN2CCC1CC2
InChIInChI=1S/C14H24N4/c1-11(2)9-16-14-15-5-8-18(14)13-10-17-6-3-12(13)4-7-17/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H,15,16)
InChIKeyIIUROMLNGMLAIC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.22
Rot. Bonds4

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

1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106559039) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106559039
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)CNc1nccn1C1CN2CCC1CC2
InChIInChI=1S/C14H24N4/c1-11(2)9-16-14-15-5-8-18(14)13-10-17-6-3-12(13)4-7-17/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H,15,16)
InChIKeyIIUROMLNGMLAIC-UHFFFAOYSA-N
XLogP2.22
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.22
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-propylimidazol-2-amine
CID 106559035
N-(2-methylpropyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazol-2-amine
CID 106576766
1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106563373
N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine
CID 106555846
1-cyclopentyl-N-(2,3-dimethylbutyl)imidazol-2-amine
CID 106575250
1-cyclopropyl-N-(2-methylsulfanylpropyl)imidazol-2-amine
CID 106580964
1-cyclopentyl-N-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106577815
1-[2-(4-methylcyclohexyl)ethyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106574335
1-(3-cyclopropylpropyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106582547
1-[2-(3-methylcyclohexyl)ethyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106574387
N-(2-methylpropyl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567606

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine (CID 106559039) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine is CC(C)CNc1nccn1C1CN2CCC1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is IIUROMLNGMLAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)9-16-14-15-5-8-18(14)13-10-17-6-3-12(13)4-7-17/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H,15,16).
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine?
1-(1-azabicyclo[2.2.2]octan-3-yl)-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.22, 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-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106559039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).