ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane

C11H25NO — CID 145338832

IUPACethane;7-methyl-2-oxa-7-azaspiro[3.4]octane
SMILESCC.CC.CN1CCC2(COC2)C1
InChIInChI=1S/C7H13NO.2C2H6/c1-8-3-2-7(4-8)5-9-6-7;2*1-2/h2-6H2,1H3;2*1-2H3
InChIKeyNMWSVADDUAVSHT-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.39
Rot. Bonds

About ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane

ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane (PubChem CID 145338832) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Nameethane;7-methyl-2-oxa-7-azaspiro[3.4]octane
PubChem CID145338832
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;7-methyl-2-oxa-7-azaspiro[3.4]octane
SMILESCC.CC.CN1CCC2(COC2)C1
InChIInChI=1S/C7H13NO.2C2H6/c1-8-3-2-7(4-8)5-9-6-7;2*1-2/h2-6H2,1H3;2*1-2H3
InChIKeyNMWSVADDUAVSHT-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Fluoro-2-oxa-7-azaspiro[3.4]octane
CID 177019648
1-Ethyl-3-(methoxymethyl)pyrrolidine
CID 57609435
7-Methyl-2-oxa-7-azaspiro[3.4]octane
CID 57626098
(3S)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134200
(3S)-1-methyl-3-(propoxymethyl)pyrrolidine
CID 58134224
(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
(3R)-1-methyl-3-(propoxymethyl)pyrrolidine
CID 58134392
7-Tert-butyl-2-oxa-7-azaspiro[3.4]octane
CID 58441257
2-Tert-butyl-6-oxa-2-azaspiro[3.4]octane
CID 58441398
6-Isopropyl-2-oxa-6-azaspiro[3.4]octane
CID 58464495
2-Methyl-6-oxa-2-azaspiro[3.4]octane
CID 58683598
(3S)-1-(2,2-dimethylpropyl)-3-(methoxymethyl)pyrrolidine
CID 58877693

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane (CID 145338832) is ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane is CC.CC.CN1CCC2(COC2)C1.
What is the InChIKey of ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is NMWSVADDUAVSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.2C2H6/c1-8-3-2-7(4-8)5-9-6-7;2*1-2/h2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane?
ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 187.33 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 145338832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).