2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane

C18H37NO — CID 153375931

IUPAC2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane
SMILESCCCCCCCC.COC1CC2(CCN(C)CC2)C1
InChIInChI=1S/C10H19NO.C8H18/c1-11-5-3-10(4-6-11)7-9(8-10)12-2;1-3-5-7-8-6-4-2/h9H,3-8H2,1-2H3;3-8H2,1-2H3
InChIKeyUZNUUSQKSDVIOD-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.87
Rot. Bonds6

About 2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane

2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane (PubChem CID 153375931) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane.

Molecular Properties

Compound Name2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane
PubChem CID153375931
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane
SMILESCCCCCCCC.COC1CC2(CCN(C)CC2)C1
InChIInChI=1S/C10H19NO.C8H18/c1-11-5-3-10(4-6-11)7-9(8-10)12-2;1-3-5-7-8-6-4-2/h9H,3-8H2,1-2H3;3-8H2,1-2H3
InChIKeyUZNUUSQKSDVIOD-UHFFFAOYSA-N
XLogP4.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane?
The IUPAC name of 2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane (CID 153375931) is 2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane.
What is the SMILES notation for 2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane?
The canonical SMILES for 2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane is CCCCCCCC.COC1CC2(CCN(C)CC2)C1.
What is the InChIKey of 2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane?
The InChIKey is UZNUUSQKSDVIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C8H18/c1-11-5-3-10(4-6-11)7-9(8-10)12-2;1-3-5-7-8-6-4-2/h9H,3-8H2,1-2H3;3-8H2,1-2H3.
What are the key properties of 2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane?
2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane has a molecular weight of 283.50 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-methyl-7-azaspiro[3.5]nonane;octane is sourced from PubChem (CID 153375931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).