2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane

C12H23NO — CID 176925299

IUPAC2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)CCCN1CC2(CCCO2)C1
InChIInChI=1S/C12H23NO/c1-11(2)5-3-7-13-9-12(10-13)6-4-8-14-12/h11H,3-10H2,1-2H3
InChIKeyDXYPWVUZLNHECR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds4

About 2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane

2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 176925299) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID176925299
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)CCCN1CC2(CCCO2)C1
InChIInChI=1S/C12H23NO/c1-11(2)5-3-7-13-9-12(10-13)6-4-8-14-12/h11H,3-10H2,1-2H3
InChIKeyDXYPWVUZLNHECR-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane (CID 176925299) is 2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane is CC(C)CCCN1CC2(CCCO2)C1.
What is the InChIKey of 2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is DXYPWVUZLNHECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)5-3-7-13-9-12(10-13)6-4-8-14-12/h11H,3-10H2,1-2H3.
What are the key properties of 2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane?
2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 197.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 176925299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).