3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C12H19N3O — CID 63975851

IUPAC3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCn1ccnc1C1(O)CC2CCC(C1)N2
InChIInChI=1S/C12H19N3O/c1-2-15-6-5-13-11(15)12(16)7-9-3-4-10(8-12)14-9/h5-6,9-10,14,16H,2-4,7-8H2,1H3
InChIKeyDUITWULQYRJXJP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.00
Rot. Bonds2

About 3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63975851) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63975851
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCn1ccnc1C1(O)CC2CCC(C1)N2
InChIInChI=1S/C12H19N3O/c1-2-15-6-5-13-11(15)12(16)7-9-3-4-10(8-12)14-9/h5-6,9-10,14,16H,2-4,7-8H2,1H3
InChIKeyDUITWULQYRJXJP-UHFFFAOYSA-N
XLogP1.00
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-ethylimidazol-2-yl)piperidin-4-ol
CID 63975654
1-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexan-1-ol
CID 63975652
1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol
CID 130554985
3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 67462180
3,4-dimethyl-1-(1-propylimidazol-2-yl)cyclohexan-1-ol
CID 64745868
4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol
CID 65077460
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116588362
4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine
CID 112562516
1-(1-ethylimidazol-2-yl)-2-phenylcyclohexan-1-ol
CID 63974580
1-ethyl-4-(1-propylimidazol-2-yl)piperidin-4-ol
CID 63975629
1-cyclopropyl-3-(1-propylimidazol-2-yl)pyrrolidin-3-ol
CID 63975841
N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62138054

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63975851) is 3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is CCn1ccnc1C1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DUITWULQYRJXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-6-5-13-11(15)12(16)7-9-3-4-10(8-12)14-9/h5-6,9-10,14,16H,2-4,7-8H2,1H3.
What are the key properties of 3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63975851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).