7-propyl-1-oxa-7-azaspiro[3.5]nonane

C10H19NO — CID 131102344

IUPAC7-propyl-1-oxa-7-azaspiro[3.5]nonane
SMILESCCCN1CCC2(CCO2)CC1
InChIInChI=1S/C10H19NO/c1-2-6-11-7-3-10(4-8-11)5-9-12-10/h2-9H2,1H3
InChIKeyJEHSSYRDPIOVJX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds2

About 7-propyl-1-oxa-7-azaspiro[3.5]nonane

7-propyl-1-oxa-7-azaspiro[3.5]nonane (PubChem CID 131102344) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 7-propyl-1-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-propyl-1-oxa-7-azaspiro[3.5]nonane
PubChem CID131102344
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name7-propyl-1-oxa-7-azaspiro[3.5]nonane
SMILESCCCN1CCC2(CCO2)CC1
InChIInChI=1S/C10H19NO/c1-2-6-11-7-3-10(4-8-11)5-9-12-10/h2-9H2,1H3
InChIKeyJEHSSYRDPIOVJX-UHFFFAOYSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-1-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-propyl-1-oxa-7-azaspiro[3.5]nonane (CID 131102344) is 7-propyl-1-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-propyl-1-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-propyl-1-oxa-7-azaspiro[3.5]nonane is CCCN1CCC2(CCO2)CC1.
What is the InChIKey of 7-propyl-1-oxa-7-azaspiro[3.5]nonane?
The InChIKey is JEHSSYRDPIOVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-6-11-7-3-10(4-8-11)5-9-12-10/h2-9H2,1H3.
What are the key properties of 7-propyl-1-oxa-7-azaspiro[3.5]nonane?
7-propyl-1-oxa-7-azaspiro[3.5]nonane has a molecular weight of 169.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-1-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 131102344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).