2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane

C16H27N3O2 — CID 91833468

IUPAC2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane
SMILESCOCCn1cncc1CN1CCCC2(CCOCC2)C1
InChIInChI=1S/C16H27N3O2/c1-20-10-7-19-14-17-11-15(19)12-18-6-2-3-16(13-18)4-8-21-9-5-16/h11,14H,2-10,12-13H2,1H3
InChIKeyTWUJCKNSPNVFKK-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.92
Rot. Bonds5

About 2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane

2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 91833468) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane
PubChem CID91833468
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane
SMILESCOCCn1cncc1CN1CCCC2(CCOCC2)C1
InChIInChI=1S/C16H27N3O2/c1-20-10-7-19-14-17-11-15(19)12-18-6-2-3-16(13-18)4-8-21-9-5-16/h11,14H,2-10,12-13H2,1H3
InChIKeyTWUJCKNSPNVFKK-UHFFFAOYSA-N
XLogP1.92
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of 2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane (CID 91833468) is 2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for 2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for 2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane is COCCn1cncc1CN1CCCC2(CCOCC2)C1.
What is the InChIKey of 2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is TWUJCKNSPNVFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-20-10-7-19-14-17-11-15(19)12-18-6-2-3-16(13-18)4-8-21-9-5-16/h11,14H,2-10,12-13H2,1H3.
What are the key properties of 2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane?
2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 293.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 91833468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).