(9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane

C13H25NO — CID 130224225

IUPAC(9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane
SMILESCCCCCN1CCCC12COC[C@@H]2C
InChIInChI=1S/C13H25NO/c1-3-4-5-8-14-9-6-7-13(14)11-15-10-12(13)2/h12H,3-11H2,1-2H3/t12-,13?/m0/s1
InChIKeyQRAMRTLWVRDMMX-UEWDXFNNSA-N
MW211.35 g/mol
LogP2.68
Rot. Bonds4

About (9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane

(9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane (PubChem CID 130224225) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane
PubChem CID130224225
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane
SMILESCCCCCN1CCCC12COC[C@@H]2C
InChIInChI=1S/C13H25NO/c1-3-4-5-8-14-9-6-7-13(14)11-15-10-12(13)2/h12H,3-11H2,1-2H3/t12-,13?/m0/s1
InChIKeyQRAMRTLWVRDMMX-UEWDXFNNSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane?
The IUPAC name of (9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane (CID 130224225) is (9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane.
What is the SMILES notation for (9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane?
The canonical SMILES for (9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane is CCCCCN1CCCC12COC[C@@H]2C.
What is the InChIKey of (9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane?
The InChIKey is QRAMRTLWVRDMMX-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-8-14-9-6-7-13(14)11-15-10-12(13)2/h12H,3-11H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of (9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane?
(9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane has a molecular weight of 211.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane is sourced from PubChem (CID 130224225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).