3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane

C16H28N4 — CID 106553506

IUPAC3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCCCCn1cc(CC)nc1N1CCC2CCC(C1)N2
InChIInChI=1S/C16H28N4/c1-3-5-9-19-11-13(4-2)18-16(19)20-10-8-14-6-7-15(12-20)17-14/h11,14-15,17H,3-10,12H2,1-2H3
InChIKeyCIMAJOMAHJIRIC-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.58
Rot. Bonds5

About 3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane

3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 106553506) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID106553506
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCCCCn1cc(CC)nc1N1CCC2CCC(C1)N2
InChIInChI=1S/C16H28N4/c1-3-5-9-19-11-13(4-2)18-16(19)20-10-8-14-6-7-15(12-20)17-14/h11,14-15,17H,3-10,12H2,1-2H3
InChIKeyCIMAJOMAHJIRIC-UHFFFAOYSA-N
XLogP2.58
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553508
1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine
CID 106552458
1-(1-butyl-4-ethylimidazol-2-yl)-3-methylpiperidin-4-amine
CID 106552382
3-ethyl-1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-amine
CID 106553278
1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine
CID 106553405
1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine
CID 106552794
3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 106553112
5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole
CID 115314602
3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553504
4-bromo-5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylpyridazin-3-one
CID 114446954
[1-[4-ethyl-1-(2-methoxyethyl)imidazol-2-yl]piperidin-3-yl]methanamine
CID 106552325
3-heptyl-3,9-diazabicyclo[4.2.1]nonane
CID 81490155

Frequently Asked Questions

What is the IUPAC name of 3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane (CID 106553506) is 3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane is CCCCn1cc(CC)nc1N1CCC2CCC(C1)N2.
What is the InChIKey of 3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is CIMAJOMAHJIRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-5-9-19-11-13(4-2)18-16(19)20-10-8-14-6-7-15(12-20)17-14/h11,14-15,17H,3-10,12H2,1-2H3.
What are the key properties of 3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 276.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 106553506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).