1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one

C22H42N2O2 — CID 118662068

IUPAC1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
SMILESCCCCC1(N(C)C)CCC2(CCN(C(=O)CCC(C)(C)OC)C2)CC1
InChIInChI=1S/C22H42N2O2/c1-7-8-10-22(23(4)5)14-12-21(13-15-22)16-17-24(18-21)19(25)9-11-20(2,3)26-6/h7-18H2,1-6H3
InChIKeyVWYUTZUTOVKPDQ-UHFFFAOYSA-N
MW366.59 g/mol
LogP4.47
Rot. Bonds8

About 1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one

1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one (PubChem CID 118662068) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
PubChem CID118662068
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC Name1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
SMILESCCCCC1(N(C)C)CCC2(CCN(C(=O)CCC(C)(C)OC)C2)CC1
InChIInChI=1S/C22H42N2O2/c1-7-8-10-22(23(4)5)14-12-21(13-15-22)16-17-24(18-21)19(25)9-11-20(2,3)26-6/h7-18H2,1-6H3
InChIKeyVWYUTZUTOVKPDQ-UHFFFAOYSA-N
XLogP4.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one with MolForge

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Related Compounds

1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
CID 118662468
1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118666001
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one
CID 118662087
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118661979
1-(5-azaspiro[2.5]octan-5-yl)butan-1-one
CID 130890888
6-butanoyl-6-azaspiro[3.4]octan-2-one
CID 130352650
1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one
CID 170065017
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
CID 112534348
1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one
CID 118662198
N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide
CID 130856026
(3S)-3-amino-3-butylpyrrolidine-1-carboxylic acid
CID 151882935

Frequently Asked Questions

What is the IUPAC name of 1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one?
The IUPAC name of 1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one (CID 118662068) is 1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one.
What is the SMILES notation for 1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one?
The canonical SMILES for 1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one is CCCCC1(N(C)C)CCC2(CCN(C(=O)CCC(C)(C)OC)C2)CC1.
What is the InChIKey of 1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one?
The InChIKey is VWYUTZUTOVKPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-7-8-10-22(23(4)5)14-12-21(13-15-22)16-17-24(18-21)19(25)9-11-20(2,3)26-6/h7-18H2,1-6H3.
What are the key properties of 1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one?
1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one has a molecular weight of 366.59 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one is sourced from PubChem (CID 118662068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).