3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane

C14H29NO — CID 91306230

IUPAC3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane
SMILESCC.CC.CC1=C(C)C2(CCNCC2)OC1
InChIInChI=1S/C10H17NO.2C2H6/c1-8-7-12-10(9(8)2)3-5-11-6-4-10;2*1-2/h11H,3-7H2,1-2H3;2*1-2H3
InChIKeyOMNQOGAZIPARAD-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.53
Rot. Bonds

About 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane

3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane (PubChem CID 91306230) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane.

Molecular Properties

Compound Name3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane
PubChem CID91306230
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane
SMILESCC.CC.CC1=C(C)C2(CCNCC2)OC1
InChIInChI=1S/C10H17NO.2C2H6/c1-8-7-12-10(9(8)2)3-5-11-6-4-10;2*1-2/h11H,3-7H2,1-2H3;2*1-2H3
InChIKeyOMNQOGAZIPARAD-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane?
The IUPAC name of 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane (CID 91306230) is 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane.
What is the SMILES notation for 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane?
The canonical SMILES for 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane is CC.CC.CC1=C(C)C2(CCNCC2)OC1.
What is the InChIKey of 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane?
The InChIKey is OMNQOGAZIPARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.2C2H6/c1-8-7-12-10(9(8)2)3-5-11-6-4-10;2*1-2/h11H,3-7H2,1-2H3;2*1-2H3.
What are the key properties of 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane?
3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane has a molecular weight of 227.39 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene;ethane is sourced from PubChem (CID 91306230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).