1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one

C16H30N2O — CID 55156122

IUPAC1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-4-17-15(2,3)14(19)18-12-10-16(11-13-18)8-6-5-7-9-16/h17H,4-13H2,1-3H3
InChIKeyXVPUMADJHOLPTN-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.95
Rot. Bonds3

About 1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one

1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one (PubChem CID 55156122) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one
PubChem CID55156122
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-4-17-15(2,3)14(19)18-12-10-16(11-13-18)8-6-5-7-9-16/h17H,4-13H2,1-3H3
InChIKeyXVPUMADJHOLPTN-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 62931262
2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
CID 107404378
2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one
CID 63626151
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 62836073
2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 62833921
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 107220750
2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid
CID 63162162
2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one
CID 63635973
4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65299813
(2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one
CID 103929863
N-[1-[2-(ethylamino)-2-methylpropanoyl]piperidin-4-yl]-2-methoxyacetamide
CID 62836448
2-(ethylamino)-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one
CID 62833188

Frequently Asked Questions

What is the IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one (CID 55156122) is 1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one is CCNC(C)(C)C(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one?
The InChIKey is XVPUMADJHOLPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-17-15(2,3)14(19)18-12-10-16(11-13-18)8-6-5-7-9-16/h17H,4-13H2,1-3H3.
What are the key properties of 1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one?
1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 55156122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).