3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane

C15H25N3 — CID 70846825

IUPAC3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane
SMILESCCN1CCC2(CCC(n3ccnc3)CC2)CC1
InChIInChI=1S/C15H25N3/c1-2-17-10-7-15(8-11-17)5-3-14(4-6-15)18-12-9-16-13-18/h9,12-14H,2-8,10-11H2,1H3
InChIKeyUYIVRQLSWHMQGS-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.10
Rot. Bonds2

About 3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane

3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane (PubChem CID 70846825) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane
PubChem CID70846825
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane
SMILESCCN1CCC2(CCC(n3ccnc3)CC2)CC1
InChIInChI=1S/C15H25N3/c1-2-17-10-7-15(8-11-17)5-3-14(4-6-15)18-12-9-16-13-18/h9,12-14H,2-8,10-11H2,1H3
InChIKeyUYIVRQLSWHMQGS-UHFFFAOYSA-N
XLogP3.10
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane (CID 70846825) is 3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane is CCN1CCC2(CCC(n3ccnc3)CC2)CC1.
What is the InChIKey of 3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane?
The InChIKey is UYIVRQLSWHMQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-17-10-7-15(8-11-17)5-3-14(4-6-15)18-12-9-16-13-18/h9,12-14H,2-8,10-11H2,1H3.
What are the key properties of 3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane?
3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane has a molecular weight of 247.39 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 70846825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).