7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane

C10H19NO — CID 90348092

IUPAC7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)N1CCC2(CCOC2)C1
InChIInChI=1S/C10H19NO/c1-9(2)11-5-3-10(7-11)4-6-12-8-10/h9H,3-8H2,1-2H3
InChIKeyQXPXLFVZVLFPJC-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds1

About 7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane

7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 90348092) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
PubChem CID90348092
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)N1CCC2(CCOC2)C1
InChIInChI=1S/C10H19NO/c1-9(2)11-5-3-10(7-11)4-6-12-8-10/h9H,3-8H2,1-2H3
InChIKeyQXPXLFVZVLFPJC-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane (CID 90348092) is 7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane is CC(C)N1CCC2(CCOC2)C1.
What is the InChIKey of 7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is QXPXLFVZVLFPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)11-5-3-10(7-11)4-6-12-8-10/h9H,3-8H2,1-2H3.
What are the key properties of 7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane?
7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 169.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 90348092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).