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

C9H19NO2 — CID 145305405

IUPACethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCC.CC1NCCC12OCCO2
InChIInChI=1S/C7H13NO2.C2H6/c1-6-7(2-3-8-6)9-4-5-10-7;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyBNUPTHPIEHKLCN-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds

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

ethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 145305405) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Nameethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID145305405
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCC.CC1NCCC12OCCO2
InChIInChI=1S/C7H13NO2.C2H6/c1-6-7(2-3-8-6)9-4-5-10-7;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyBNUPTHPIEHKLCN-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of ethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane (CID 145305405) is ethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for ethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for ethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane is CC.CC1NCCC12OCCO2.
What is the InChIKey of ethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is BNUPTHPIEHKLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c1-6-7(2-3-8-6)9-4-5-10-7;1-2/h6,8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
ethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 173.26 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 145305405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).