8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane

C13H21NO — CID 171591165

IUPAC8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane
SMILESCC(C)C#CCN1CCOC2(CCC2)C1
InChIInChI=1S/C13H21NO/c1-12(2)5-3-8-14-9-10-15-13(11-14)6-4-7-13/h12H,4,6-11H2,1-2H3
InChIKeyZZJAHVZWZHJHQX-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.90
Rot. Bonds1

About 8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane

8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane (PubChem CID 171591165) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane
PubChem CID171591165
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane
SMILESCC(C)C#CCN1CCOC2(CCC2)C1
InChIInChI=1S/C13H21NO/c1-12(2)5-3-8-14-9-10-15-13(11-14)6-4-7-13/h12H,4,6-11H2,1-2H3
InChIKeyZZJAHVZWZHJHQX-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of 8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane (CID 171591165) is 8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for 8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for 8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane is CC(C)C#CCN1CCOC2(CCC2)C1.
What is the InChIKey of 8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is ZZJAHVZWZHJHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-12(2)5-3-8-14-9-10-15-13(11-14)6-4-7-13/h12H,4,6-11H2,1-2H3.
What are the key properties of 8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane?
8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 207.32 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 171591165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).