4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane

C6H12N2O — CID 163932008

IUPAC4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane
SMILESCN1CCN(C)C12CO2
InChIInChI=1S/C6H12N2O/c1-7-3-4-8(2)6(7)5-9-6/h3-5H2,1-2H3
InChIKeyRJLQOVKFEREXIY-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.45
Rot. Bonds

About 4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane

4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane (PubChem CID 163932008) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane.

Molecular Properties

Compound Name4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane
PubChem CID163932008
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane
SMILESCN1CCN(C)C12CO2
InChIInChI=1S/C6H12N2O/c1-7-3-4-8(2)6(7)5-9-6/h3-5H2,1-2H3
InChIKeyRJLQOVKFEREXIY-UHFFFAOYSA-N
XLogP-0.45
TPSA19.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-3-methyl-1,3-oxazolidine
CID 67205796
ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane
CID 144685724
2,2-dimethyloxirane;methanol
CID 161373463
2,3-dimethyl-1,3-oxazolidin-2-amine
CID 67867295
1,5-dimethyl-1,5-diazaspiro[3.3]heptane
CID 59187038
8-methyl-5-oxa-8-azaspiro[3.4]octane
CID 123313806
(5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine
CID 154932310
1-methyl-4-(2-methyloxiran-2-yl)piperidine
CID 116864147
diiodovanadium;2,2-dimethyloxirane
CID 159184352
(2-hydroxy-4-methylmorpholin-2-yl) acetate
CID 172553442
hexa-1,3,5-triyne;4-methylmorpholine;molecular hydrogen
CID 91554368
5-methyl-8-oxa-5-azaspiro[3.5]nonane
CID 130359992

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane?
The IUPAC name of 4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane (CID 163932008) is 4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane.
What is the SMILES notation for 4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane?
The canonical SMILES for 4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane is CN1CCN(C)C12CO2.
What is the InChIKey of 4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane?
The InChIKey is RJLQOVKFEREXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-7-3-4-8(2)6(7)5-9-6/h3-5H2,1-2H3.
What are the key properties of 4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane?
4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane has a molecular weight of 128.17 g/mol, XLogP of -0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane is sourced from PubChem (CID 163932008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).