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

C15H25N3O — CID 59505482

IUPAC9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane
SMILESc1cn(CCOC2CCC3(CCNCC3)CC2)cn1
InChIInChI=1S/C15H25N3O/c1-3-15(5-7-16-8-6-15)4-2-14(1)19-12-11-18-10-9-17-13-18/h9-10,13-14,16H,1-8,11-12H2
InChIKeyWZENLXJYARERHW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.21
Rot. Bonds4

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

9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane (PubChem CID 59505482) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane
PubChem CID59505482
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane
SMILESc1cn(CCOC2CCC3(CCNCC3)CC2)cn1
InChIInChI=1S/C15H25N3O/c1-3-15(5-7-16-8-6-15)4-2-14(1)19-12-11-18-10-9-17-13-18/h9-10,13-14,16H,1-8,11-12H2
InChIKeyWZENLXJYARERHW-UHFFFAOYSA-N
XLogP2.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 56877012
4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine
CID 45220940
3-[2-Fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine
CID 114533144
3-[3-(1-Ethylimidazol-2-yl)-2-fluoro-2-methylpropyl]morpholine
CID 116011148
3-[2-Fluoro-2-methyl-3-(1-methylimidazol-2-yl)propyl]morpholine
CID 116011257
3-[2-Fluoro-2-methyl-3-(1-propylimidazol-2-yl)propyl]morpholine
CID 116011323
2-(Cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 45191713
1-(1H-imidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine
CID 50982967
1-[2-(4-Tert-butylcyclohexyl)oxypropyl]imidazole
CID 21397910
1-(4-Cyclohexyl-2-hexoxybutyl)imidazole
CID 21397942
1-(2-Cyclohexyl-2-decoxyethyl)imidazole
CID 21397968
1-[2-(2-Tert-butylcyclohexyl)-2-propoxyethyl]imidazole
CID 21397980

Frequently Asked Questions

What is the IUPAC name of 9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane?
The IUPAC name of 9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane (CID 59505482) is 9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane is c1cn(CCOC2CCC3(CCNCC3)CC2)cn1.
What is the InChIKey of 9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane?
The InChIKey is WZENLXJYARERHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-15(5-7-16-8-6-15)4-2-14(1)19-12-11-18-10-9-17-13-18/h9-10,13-14,16H,1-8,11-12H2.
What are the key properties of 9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane?
9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane has a molecular weight of 263.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 59505482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).