6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane

C12H27NO2 — CID 145305346

IUPAC6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane
SMILESCC.CC.CC1CCC2(OCCO2)N1C
InChIInChI=1S/C8H15NO2.2C2H6/c1-7-3-4-8(9(7)2)10-5-6-11-8;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3
InChIKeyAORZTUXEZZIKCV-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.85
Rot. Bonds

About 6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane

6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane (PubChem CID 145305346) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane.

Molecular Properties

Compound Name6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane
PubChem CID145305346
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane
SMILESCC.CC.CC1CCC2(OCCO2)N1C
InChIInChI=1S/C8H15NO2.2C2H6/c1-7-3-4-8(9(7)2)10-5-6-11-8;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3
InChIKeyAORZTUXEZZIKCV-UHFFFAOYSA-N
XLogP2.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-4-azaspiro[2.5]octane;ethane
CID 178026698
ethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane
CID 145305443
4,5-dimethyl-4-azaspiro[2.5]octane
CID 118971450
1,2,2,6-tetramethylpiperidine
CID 23423758
7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane
CID 143049086
ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 143370100
6,9-dimethyl-1,4-dioxa-9-azaspiro[4.5]decane
CID 21050567
7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 114537727
ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane
CID 164532769
1,2,2,6-tetramethylpiperidin-3-amine
CID 139994448
ethane;6-methyl-1-oxaspiro[3.4]octane
CID 144986625
4,5-dimethyl-1,4-oxazepane;ethane
CID 163257636

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane?
The IUPAC name of 6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane (CID 145305346) is 6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane.
What is the SMILES notation for 6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane?
The canonical SMILES for 6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane is CC.CC.CC1CCC2(OCCO2)N1C.
What is the InChIKey of 6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane?
The InChIKey is AORZTUXEZZIKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.2C2H6/c1-7-3-4-8(9(7)2)10-5-6-11-8;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of 6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane?
6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane has a molecular weight of 217.35 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1,4-dioxa-6-azaspiro[4.4]nonane;ethane is sourced from PubChem (CID 145305346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).