9-propyl-6-oxa-9-azaspiro[4.5]decane

C11H21NO — CID 127498970

IUPAC9-propyl-6-oxa-9-azaspiro[4.5]decane
SMILESCCCN1CCOC2(CCCC2)C1
InChIInChI=1S/C11H21NO/c1-2-7-12-8-9-13-11(10-12)5-3-4-6-11/h2-10H2,1H3
InChIKeyMCKMDEFXMRUIFH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds2

About 9-propyl-6-oxa-9-azaspiro[4.5]decane

9-propyl-6-oxa-9-azaspiro[4.5]decane (PubChem CID 127498970) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 9-propyl-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-propyl-6-oxa-9-azaspiro[4.5]decane
PubChem CID127498970
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name9-propyl-6-oxa-9-azaspiro[4.5]decane
SMILESCCCN1CCOC2(CCCC2)C1
InChIInChI=1S/C11H21NO/c1-2-7-12-8-9-13-11(10-12)5-3-4-6-11/h2-10H2,1H3
InChIKeyMCKMDEFXMRUIFH-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-propyl-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-propyl-6-oxa-9-azaspiro[4.5]decane (CID 127498970) is 9-propyl-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-propyl-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-propyl-6-oxa-9-azaspiro[4.5]decane is CCCN1CCOC2(CCCC2)C1.
What is the InChIKey of 9-propyl-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is MCKMDEFXMRUIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-7-12-8-9-13-11(10-12)5-3-4-6-11/h2-10H2,1H3.
What are the key properties of 9-propyl-6-oxa-9-azaspiro[4.5]decane?
9-propyl-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 183.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyl-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 127498970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).