2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane

C12H23NO — CID 18342667

IUPAC2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCC1CCC2(CCN(C(C)C)CC2)O1
InChIInChI=1S/C12H23NO/c1-10(2)13-8-6-12(7-9-13)5-4-11(3)14-12/h10-11H,4-9H2,1-3H3
InChIKeyQLNLGCKPOFYIHH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.43
Rot. Bonds1

About 2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane

2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 18342667) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID18342667
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCC1CCC2(CCN(C(C)C)CC2)O1
InChIInChI=1S/C12H23NO/c1-10(2)13-8-6-12(7-9-13)5-4-11(3)14-12/h10-11H,4-9H2,1-3H3
InChIKeyQLNLGCKPOFYIHH-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (CID 18342667) is 2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is CC1CCC2(CCN(C(C)C)CC2)O1.
What is the InChIKey of 2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QLNLGCKPOFYIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13-8-6-12(7-9-13)5-4-11(3)14-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 197.32 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 18342667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).