2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane

C15H24N2O — CID 56717925

IUPAC2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CCNCC3)C2)oc1C
InChIInChI=1S/C15H24N2O/c1-12-9-14(18-13(12)2)10-17-8-5-15(11-17)3-6-16-7-4-15/h9,16H,3-8,10-11H2,1-2H3
InChIKeyNUHIKOQXEAABIR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.47
Rot. Bonds2

About 2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane

2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 56717925) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID56717925
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CCNCC3)C2)oc1C
InChIInChI=1S/C15H24N2O/c1-12-9-14(18-13(12)2)10-17-8-5-15(11-17)3-6-16-7-4-15/h9,16H,3-8,10-11H2,1-2H3
InChIKeyNUHIKOQXEAABIR-UHFFFAOYSA-N
XLogP2.47
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906603
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906518
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
(5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 97483634
2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906566
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906721
2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906816
2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906747
2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride
CID 154910251
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906918
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906860

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 56717925) is 2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane is Cc1cc(CN2CCC3(CCNCC3)C2)oc1C.
What is the InChIKey of 2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is NUHIKOQXEAABIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-9-14(18-13(12)2)10-17-8-5-15(11-17)3-6-16-7-4-15/h9,16H,3-8,10-11H2,1-2H3.
What are the key properties of 2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 248.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56717925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).