N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine

C12H20N4 — CID 106559020

IUPACN-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1cn(C)c(NC2CN3CCC2CC3)n1
InChIInChI=1S/C12H20N4/c1-9-7-15(2)12(13-9)14-11-8-16-5-3-10(11)4-6-16/h7,10-11H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyZAYQSNAMXXEEIT-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.23
Rot. Bonds2

About N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine

N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 106559020) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID106559020
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1cn(C)c(NC2CN3CCC2CC3)n1
InChIInChI=1S/C12H20N4/c1-9-7-15(2)12(13-9)14-11-8-16-5-3-10(11)4-6-16/h7,10-11H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyZAYQSNAMXXEEIT-UHFFFAOYSA-N
XLogP1.23
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethyl-N-(2-methylcyclohexyl)imidazol-2-amine
CID 106558964
1,4-dimethyl-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560151
N-(4-methylpyrimidin-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 62959807
N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine
CID 106575129
N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60924563
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80777662
N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 107584928
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylpyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 18921474
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 63729919
3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine
CID 102983633
N-(4-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121635
N-(4-methylsulfanylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121567

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 106559020) is N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine is Cc1cn(C)c(NC2CN3CCC2CC3)n1.
What is the InChIKey of N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is ZAYQSNAMXXEEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-7-15(2)12(13-9)14-11-8-16-5-3-10(11)4-6-16/h7,10-11H,3-6,8H2,1-2H3,(H,13,14).
What are the key properties of N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylimidazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 106559020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).