2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane

C18H28N2O — CID 102849328

IUPAC2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane
SMILESCC1CC1c1ccc(CN2CCCC3(CCCNC3)C2)o1
InChIInChI=1S/C18H28N2O/c1-14-10-16(14)17-5-4-15(21-17)11-20-9-3-7-18(13-20)6-2-8-19-12-18/h4-5,14,16,19H,2-3,6-13H2,1H3
InChIKeyOCPIAZLBLNOEHF-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.37
Rot. Bonds3

About 2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane

2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane (PubChem CID 102849328) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane
PubChem CID102849328
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane
SMILESCC1CC1c1ccc(CN2CCCC3(CCCNC3)C2)o1
InChIInChI=1S/C18H28N2O/c1-14-10-16(14)17-5-4-15(21-17)11-20-9-3-7-18(13-20)6-2-8-19-12-18/h4-5,14,16,19H,2-3,6-13H2,1H3
InChIKeyOCPIAZLBLNOEHF-UHFFFAOYSA-N
XLogP3.37
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane (CID 102849328) is 2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane is CC1CC1c1ccc(CN2CCCC3(CCCNC3)C2)o1.
What is the InChIKey of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane?
The InChIKey is OCPIAZLBLNOEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-10-16(14)17-5-4-15(21-17)11-20-9-3-7-18(13-20)6-2-8-19-12-18/h4-5,14,16,19H,2-3,6-13H2,1H3.
What are the key properties of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane?
2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane has a molecular weight of 288.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).