3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane

C17H29N3O — CID 70846828

IUPAC3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane
SMILESCCN1CCC2(CCC(OCCn3ccnc3)CC2)CC1
InChIInChI=1S/C17H29N3O/c1-2-19-10-7-17(8-11-19)5-3-16(4-6-17)21-14-13-20-12-9-18-15-20/h9,12,15-16H,2-8,10-11,13-14H2,1H3
InChIKeyBGCFWRCUBDPRPG-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.94
Rot. Bonds5

About 3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane

3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane (PubChem CID 70846828) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane
PubChem CID70846828
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane
SMILESCCN1CCC2(CCC(OCCn3ccnc3)CC2)CC1
InChIInChI=1S/C17H29N3O/c1-2-19-10-7-17(8-11-19)5-3-16(4-6-17)21-14-13-20-12-9-18-15-20/h9,12,15-16H,2-8,10-11,13-14H2,1H3
InChIKeyBGCFWRCUBDPRPG-UHFFFAOYSA-N
XLogP2.94
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane (CID 70846828) is 3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane is CCN1CCC2(CCC(OCCn3ccnc3)CC2)CC1.
What is the InChIKey of 3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane?
The InChIKey is BGCFWRCUBDPRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-19-10-7-17(8-11-19)5-3-16(4-6-17)21-14-13-20-12-9-18-15-20/h9,12,15-16H,2-8,10-11,13-14H2,1H3.
What are the key properties of 3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane?
3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane has a molecular weight of 291.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 70846828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).