ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane

C8H17NO — CID 144685724

IUPACethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane
SMILESCC.CN1CCC12CCO2
InChIInChI=1S/C6H11NO.C2H6/c1-7-4-2-6(7)3-5-8-6;1-2/h2-5H2,1H3;1-2H3
InChIKeyMRNHEIHFNWPYCY-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.46
Rot. Bonds

About ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane

ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane (PubChem CID 144685724) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane.

Molecular Properties

Compound Nameethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane
PubChem CID144685724
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane
SMILESCC.CN1CCC12CCO2
InChIInChI=1S/C6H11NO.C2H6/c1-7-4-2-6(7)3-5-8-6;1-2/h2-5H2,1H3;1-2H3
InChIKeyMRNHEIHFNWPYCY-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-5-oxa-8-azaspiro[3.4]octane
CID 123313806
2,2-difluoro-3-methyl-1,3-oxazolidine
CID 67205796
4-methyl-8-penta-2,4-dien-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 123190341
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
2,2-difluorooxetane;fluoromethane;molecular fluorine
CID 157131150
9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane
CID 146386656
(4R)-8-methyl-1-oxa-8-azaspiro[3.5]nonane
CID 167468548
tert-butyl 1-oxa-8-azaspiro[3.4]octane-8-carboxylate
CID 71669234
4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane
CID 163932008
1,5-dimethyl-1,5-diazaspiro[3.3]heptane
CID 59187038
2,3-dimethyl-1,3-oxazolidin-2-amine
CID 67867295
7-propyl-1-oxa-7-azaspiro[3.5]nonane
CID 131102344

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane?
The IUPAC name of ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane (CID 144685724) is ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane.
What is the SMILES notation for ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane?
The canonical SMILES for ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane is CC.CN1CCC12CCO2.
What is the InChIKey of ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane?
The InChIKey is MRNHEIHFNWPYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-7-4-2-6(7)3-5-8-6;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane?
ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane has a molecular weight of 143.23 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane is sourced from PubChem (CID 144685724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).