(1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

C14H24N2O — CID 169144000

IUPAC(1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC1CC2(CCN1)CCC(N1C[C@H]3C[C@@H]1CO3)C2
InChIInChI=1S/C14H24N2O/c1-2-14(3-5-15-6-4-14)8-11(1)16-9-13-7-12(16)10-17-13/h11-13,15H,1-10H2/t11?,12-,13-/m1/s1
InChIKeyYBQHRWHNKWSFNP-VFRRUGBOSA-N
MW236.36 g/mol
LogP1.38
Rot. Bonds1

About (1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

(1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 169144000) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID169144000
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC1CC2(CCN1)CCC(N1C[C@H]3C[C@@H]1CO3)C2
InChIInChI=1S/C14H24N2O/c1-2-14(3-5-15-6-4-14)8-11(1)16-9-13-7-12(16)10-17-13/h11-13,15H,1-10H2/t11?,12-,13-/m1/s1
InChIKeyYBQHRWHNKWSFNP-VFRRUGBOSA-N
XLogP1.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 169144000) is (1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is C1CC2(CCN1)CCC(N1C[C@H]3C[C@@H]1CO3)C2.
What is the InChIKey of (1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is YBQHRWHNKWSFNP-VFRRUGBOSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-14(3-5-15-6-4-14)8-11(1)16-9-13-7-12(16)10-17-13/h11-13,15H,1-10H2/t11?,12-,13-/m1/s1.
What are the key properties of (1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
(1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 236.36 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-(8-azaspiro[4.5]decan-3-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 169144000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).