9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane

C16H27N3O — CID 91832513

IUPAC9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESCC(C)Cn1cncc1CN1CCOC2(CCCC2)C1
InChIInChI=1S/C16H27N3O/c1-14(2)10-19-13-17-9-15(19)11-18-7-8-20-16(12-18)5-3-4-6-16/h9,13-14H,3-8,10-12H2,1-2H3
InChIKeyYMJHMLAMDSQIGV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.68
Rot. Bonds4

About 9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane

9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane (PubChem CID 91832513) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane
PubChem CID91832513
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESCC(C)Cn1cncc1CN1CCOC2(CCCC2)C1
InChIInChI=1S/C16H27N3O/c1-14(2)10-19-13-17-9-15(19)11-18-7-8-20-16(12-18)5-3-4-6-16/h9,13-14H,3-8,10-12H2,1-2H3
InChIKeyYMJHMLAMDSQIGV-UHFFFAOYSA-N
XLogP2.68
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane (CID 91832513) is 9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane is CC(C)Cn1cncc1CN1CCOC2(CCCC2)C1.
What is the InChIKey of 9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is YMJHMLAMDSQIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14(2)10-19-13-17-9-15(19)11-18-7-8-20-16(12-18)5-3-4-6-16/h9,13-14H,3-8,10-12H2,1-2H3.
What are the key properties of 9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane?
9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 277.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 91832513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).