[5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol

C15H24N2O2 — CID 56917105

IUPAC[5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol
SMILESOCc1ccc(CN2CCC3(CCNCC3)CC2)o1
InChIInChI=1S/C15H24N2O2/c18-12-14-2-1-13(19-14)11-17-9-5-15(6-10-17)3-7-16-8-4-15/h1-2,16,18H,3-12H2
InChIKeyZMMPUXBMNOFYDO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.74
Rot. Bonds3

About [5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol

[5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol (PubChem CID 56917105) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol
PubChem CID56917105
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol
SMILESOCc1ccc(CN2CCC3(CCNCC3)CC2)o1
InChIInChI=1S/C15H24N2O2/c18-12-14-2-1-13(19-14)11-17-9-5-15(6-10-17)3-7-16-8-4-15/h1-2,16,18H,3-12H2
InChIKeyZMMPUXBMNOFYDO-UHFFFAOYSA-N
XLogP1.74
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol?
The IUPAC name of [5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol (CID 56917105) is [5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol?
The canonical SMILES for [5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol is OCc1ccc(CN2CCC3(CCNCC3)CC2)o1.
What is the InChIKey of [5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol?
The InChIKey is ZMMPUXBMNOFYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c18-12-14-2-1-13(19-14)11-17-9-5-15(6-10-17)3-7-16-8-4-15/h1-2,16,18H,3-12H2.
What are the key properties of [5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol?
[5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol is sourced from PubChem (CID 56917105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).