9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C11H22N2O — CID 22055458

IUPAC9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C11H22N2O/c1-10(2)13-6-3-11(4-7-13)9-12-5-8-14-11/h10,12H,3-9H2,1-2H3
InChIKeyMQSXIMYPMKQNDJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds1

About 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 22055458) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID22055458
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C11H22N2O/c1-10(2)13-6-3-11(4-7-13)9-12-5-8-14-11/h10,12H,3-9H2,1-2H3
InChIKeyMQSXIMYPMKQNDJ-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 22055458) is 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is CC(C)N1CCC2(CC1)CNCCO2.
What is the InChIKey of 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is MQSXIMYPMKQNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2)13-6-3-11(4-7-13)9-12-5-8-14-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 198.31 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 22055458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).