ethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane

C10H21NO — CID 170571855

IUPACethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane
SMILESCC.CC1NCC12CCOCC2
InChIInChI=1S/C8H15NO.C2H6/c1-7-8(6-9-7)2-4-10-5-3-8;1-2/h7,9H,2-6H2,1H3;1-2H3
InChIKeyREUJKJRHLHFKMB-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds

About ethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane

ethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 170571855) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane
PubChem CID170571855
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane
SMILESCC.CC1NCC12CCOCC2
InChIInChI=1S/C8H15NO.C2H6/c1-7-8(6-9-7)2-4-10-5-3-8;1-2/h7,9H,2-6H2,1H3;1-2H3
InChIKeyREUJKJRHLHFKMB-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of ethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane (CID 170571855) is ethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for ethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for ethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane is CC.CC1NCC12CCOCC2.
What is the InChIKey of ethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is REUJKJRHLHFKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-7-8(6-9-7)2-4-10-5-3-8;1-2/h7,9H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane?
ethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 171.28 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 170571855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).