3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane

C15H24N4 — CID 106553508

IUPAC3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESC=CCn1cc(CC)nc1N1CCC2CCC(C1)N2
InChIInChI=1S/C15H24N4/c1-3-8-18-10-12(4-2)17-15(18)19-9-7-13-5-6-14(11-19)16-13/h3,10,13-14,16H,1,4-9,11H2,2H3
InChIKeyRQQXRZQUUMGECH-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.96
Rot. Bonds4

About 3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane

3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 106553508) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID106553508
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESC=CCn1cc(CC)nc1N1CCC2CCC(C1)N2
InChIInChI=1S/C15H24N4/c1-3-8-18-10-12(4-2)17-15(18)19-9-7-13-5-6-14(11-19)16-13/h3,10,13-14,16H,1,4-9,11H2,2H3
InChIKeyRQQXRZQUUMGECH-UHFFFAOYSA-N
XLogP1.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553506
1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine
CID 106553405
1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106552451
1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine
CID 106552933
5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole
CID 115314602
(3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine
CID 106553892
3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553504
1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine
CID 106552458
3-ethyl-1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-amine
CID 106553278
1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine
CID 106552601
1-(1-butyl-4-ethylimidazol-2-yl)-3-methylpiperidin-4-amine
CID 106552382
N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106553425

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane (CID 106553508) is 3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane is C=CCn1cc(CC)nc1N1CCC2CCC(C1)N2.
What is the InChIKey of 3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is RQQXRZQUUMGECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-8-18-10-12(4-2)17-15(18)19-9-7-13-5-6-14(11-19)16-13/h3,10,13-14,16H,1,4-9,11H2,2H3.
What are the key properties of 3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 260.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 106553508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).