3-methyl-1-oxa-4-azaspiro[4.5]decane

C9H17NO — CID 3053135

IUPAC3-methyl-1-oxa-4-azaspiro[4.5]decane
SMILESCC1COC2(CCCCC2)N1
InChIInChI=1S/C9H17NO/c1-8-7-11-9(10-8)5-3-2-4-6-9/h8,10H,2-7H2,1H3
InChIKeyJDEHJLNNHOSKCB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.66
Rot. Bonds

About 3-methyl-1-oxa-4-azaspiro[4.5]decane

3-methyl-1-oxa-4-azaspiro[4.5]decane (PubChem CID 3053135) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-methyl-1-oxa-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-1-oxa-4-azaspiro[4.5]decane
PubChem CID3053135
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-methyl-1-oxa-4-azaspiro[4.5]decane
SMILESCC1COC2(CCCCC2)N1
InChIInChI=1S/C9H17NO/c1-8-7-11-9(10-8)5-3-2-4-6-9/h8,10H,2-7H2,1H3
InChIKeyJDEHJLNNHOSKCB-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxa-4-azaspiro[4.5]decane?
The IUPAC name of 3-methyl-1-oxa-4-azaspiro[4.5]decane (CID 3053135) is 3-methyl-1-oxa-4-azaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-1-oxa-4-azaspiro[4.5]decane?
The canonical SMILES for 3-methyl-1-oxa-4-azaspiro[4.5]decane is CC1COC2(CCCCC2)N1.
What is the InChIKey of 3-methyl-1-oxa-4-azaspiro[4.5]decane?
The InChIKey is JDEHJLNNHOSKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-7-11-9(10-8)5-3-2-4-6-9/h8,10H,2-7H2,1H3.
What are the key properties of 3-methyl-1-oxa-4-azaspiro[4.5]decane?
3-methyl-1-oxa-4-azaspiro[4.5]decane has a molecular weight of 155.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxa-4-azaspiro[4.5]decane is sourced from PubChem (CID 3053135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).