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

C11H25NO2 — CID 145305443

IUPACethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane
SMILESCC.CC.CC1CCC2(N1)OCCO2
InChIInChI=1S/C7H13NO2.2C2H6/c1-6-2-3-7(8-6)9-4-5-10-7;2*1-2/h6,8H,2-5H2,1H3;2*1-2H3
InChIKeyAHPVBUCDQVKBBI-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.51
Rot. Bonds

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

ethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane (PubChem CID 145305443) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane.

Molecular Properties

Compound Nameethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane
PubChem CID145305443
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Nameethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane
SMILESCC.CC.CC1CCC2(N1)OCCO2
InChIInChI=1S/C7H13NO2.2C2H6/c1-6-2-3-7(8-6)9-4-5-10-7;2*1-2/h6,8H,2-5H2,1H3;2*1-2H3
InChIKeyAHPVBUCDQVKBBI-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane?
The IUPAC name of ethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane (CID 145305443) is ethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane.
What is the SMILES notation for ethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane?
The canonical SMILES for ethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane is CC.CC.CC1CCC2(N1)OCCO2.
What is the InChIKey of ethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane?
The InChIKey is AHPVBUCDQVKBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.2C2H6/c1-6-2-3-7(8-6)9-4-5-10-7;2*1-2/h6,8H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane?
ethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane has a molecular weight of 203.33 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane is sourced from PubChem (CID 145305443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).