3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane

C15H25N3O — CID 155982669

IUPAC3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCn1cnc(CN2CCC3(CC2)COC(C)(C)C3)c1
InChIInChI=1S/C15H25N3O/c1-14(2)10-15(11-19-14)4-6-18(7-5-15)9-13-8-17(3)12-16-13/h8,12H,4-7,9-11H2,1-3H3
InChIKeyJIYHRTYPGGJZCN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.20
Rot. Bonds2

About 3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane

3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane (PubChem CID 155982669) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
PubChem CID155982669
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCn1cnc(CN2CCC3(CC2)COC(C)(C)C3)c1
InChIInChI=1S/C15H25N3O/c1-14(2)10-15(11-19-14)4-6-18(7-5-15)9-13-8-17(3)12-16-13/h8,12H,4-7,9-11H2,1-3H3
InChIKeyJIYHRTYPGGJZCN-UHFFFAOYSA-N
XLogP2.20
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane (CID 155982669) is 3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane is Cn1cnc(CN2CCC3(CC2)COC(C)(C)C3)c1.
What is the InChIKey of 3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is JIYHRTYPGGJZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-14(2)10-15(11-19-14)4-6-18(7-5-15)9-13-8-17(3)12-16-13/h8,12H,4-7,9-11H2,1-3H3.
What are the key properties of 3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 263.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 155982669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).