2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane

C13H25NO — CID 106824865

IUPAC2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCNCC2CC(C)C)C1
InChIInChI=1S/C13H25NO/c1-10(2)6-11-9-14-5-4-13(11)7-12(8-13)15-3/h10-12,14H,4-9H2,1-3H3
InChIKeyMNCXLOFGJDJHGV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds3

About 2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane

2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane (PubChem CID 106824865) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane
PubChem CID106824865
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCNCC2CC(C)C)C1
InChIInChI=1S/C13H25NO/c1-10(2)6-11-9-14-5-4-13(11)7-12(8-13)15-3/h10-12,14H,4-9H2,1-3H3
InChIKeyMNCXLOFGJDJHGV-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane?
The IUPAC name of 2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane (CID 106824865) is 2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane is COC1CC2(CCNCC2CC(C)C)C1.
What is the InChIKey of 2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane?
The InChIKey is MNCXLOFGJDJHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)6-11-9-14-5-4-13(11)7-12(8-13)15-3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane?
2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane has a molecular weight of 211.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methylpropyl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 106824865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).