1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane

C18H27NO — CID 82626038

IUPAC1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane
SMILESCOc1cc(C)c(C2NCCC23CCCCC3)c(C)c1
InChIInChI=1S/C18H27NO/c1-13-11-15(20-3)12-14(2)16(13)17-18(9-10-19-17)7-5-4-6-8-18/h11-12,17,19H,4-10H2,1-3H3
InChIKeyWVEHNIQTBVQBCQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.30
Rot. Bonds2

About 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane

1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane (PubChem CID 82626038) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane
PubChem CID82626038
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane
SMILESCOc1cc(C)c(C2NCCC23CCCCC3)c(C)c1
InChIInChI=1S/C18H27NO/c1-13-11-15(20-3)12-14(2)16(13)17-18(9-10-19-17)7-5-4-6-8-18/h11-12,17,19H,4-10H2,1-3H3
InChIKeyWVEHNIQTBVQBCQ-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane (CID 82626038) is 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane is COc1cc(C)c(C2NCCC23CCCCC3)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane?
The InChIKey is WVEHNIQTBVQBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-11-15(20-3)12-14(2)16(13)17-18(9-10-19-17)7-5-4-6-8-18/h11-12,17,19H,4-10H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane?
1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane has a molecular weight of 273.42 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 82626038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).