2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine

C24H40N2O — CID 118662045

IUPAC2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine
SMILESCOC(C)(C)CCCN1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1
InChIInChI=1S/C24H40N2O/c1-22(2,27-5)12-9-18-26-19-17-23(20-26)13-15-24(16-14-23,25(3)4)21-10-7-6-8-11-21/h6-8,10-11H,9,12-20H2,1-5H3
InChIKeyIJXRXNNZVKHZCP-UHFFFAOYSA-N
MW372.60 g/mol
LogP4.91
Rot. Bonds7

About 2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine

2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine (PubChem CID 118662045) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is 2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine
PubChem CID118662045
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine
SMILESCOC(C)(C)CCCN1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1
InChIInChI=1S/C24H40N2O/c1-22(2,27-5)12-9-18-26-19-17-23(20-26)13-15-24(16-14-23,25(3)4)21-10-7-6-8-11-21/h6-8,10-11H,9,12-20H2,1-5H3
InChIKeyIJXRXNNZVKHZCP-UHFFFAOYSA-N
XLogP4.91
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
CID 118662468
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one
CID 118662087
1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile
CID 118662456
N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine
CID 118661944
1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone
CID 118666504
[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 118662277
3-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 118662153
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylbutanenitrile
CID 118662229
8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane
CID 142573439
4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 118666605
methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate
CID 122138914

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine?
The IUPAC name of 2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine (CID 118662045) is 2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for 2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine?
The canonical SMILES for 2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine is COC(C)(C)CCCN1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1.
What is the InChIKey of 2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine?
The InChIKey is IJXRXNNZVKHZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O/c1-22(2,27-5)12-9-18-26-19-17-23(20-26)13-15-24(16-14-23,25(3)4)21-10-7-6-8-11-21/h6-8,10-11H,9,12-20H2,1-5H3.
What are the key properties of 2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine?
2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine has a molecular weight of 372.60 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 118662045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).