1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine

C13H23N5 — CID 79974244

IUPAC1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
SMILESCCn1ccnc1C(NC)C1CN2CCN1CC2
InChIInChI=1S/C13H23N5/c1-3-17-5-4-15-13(17)12(14-2)11-10-16-6-8-18(11)9-7-16/h4-5,11-12,14H,3,6-10H2,1-2H3
InChIKeyJDLQUBPRBXVKDJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.16
Rot. Bonds4

About 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine (PubChem CID 79974244) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
PubChem CID79974244
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
SMILESCCn1ccnc1C(NC)C1CN2CCN1CC2
InChIInChI=1S/C13H23N5/c1-3-17-5-4-15-13(17)12(14-2)11-10-16-6-8-18(11)9-7-16/h4-5,11-12,14H,3,6-10H2,1-2H3
InChIKeyJDLQUBPRBXVKDJ-UHFFFAOYSA-N
XLogP0.16
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-diazabicyclo[2.2.2]octan-2-yl-(1-ethylimidazol-2-yl)methanol
CID 79969029
1-(1-ethylimidazol-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65423382
1-(3-ethylcyclopentyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 65410037
1,4-diazabicyclo[2.2.2]octan-2-yl-(1-methylimidazol-2-yl)methanol
CID 79970342
3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 63199792
1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 65410669
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79970332
3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine
CID 79974436
1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
CID 63968362
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 79974832

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine (CID 79974244) is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine is CCn1ccnc1C(NC)C1CN2CCN1CC2.
What is the InChIKey of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
The InChIKey is JDLQUBPRBXVKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-17-5-4-15-13(17)12(14-2)11-10-16-6-8-18(11)9-7-16/h4-5,11-12,14H,3,6-10H2,1-2H3.
What are the key properties of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine has a molecular weight of 249.36 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79974244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).