1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one

C15H28N2O — CID 62930046

IUPAC1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
SMILESCNCCCC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-16-11-5-6-14(18)17-12-9-15(10-13-17)7-3-2-4-8-15/h16H,2-13H2,1H3
InChIKeyHUGWMBOXACQCGG-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds4

About 1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one

1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one (PubChem CID 62930046) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
PubChem CID62930046
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
SMILESCNCCCC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-16-11-5-6-14(18)17-12-9-15(10-13-17)7-3-2-4-8-15/h16H,2-13H2,1H3
InChIKeyHUGWMBOXACQCGG-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
CID 62936546
6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid
CID 62936033
1-(8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 63163607
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
CID 62937582
5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
1-(1,4-diazepan-1-yl)-4-(methylamino)butan-1-one
CID 60842229
4-(methylamino)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 60649292
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119743484
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone
CID 131089762
1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
CID 167588263
5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine
CID 55157288

Frequently Asked Questions

What is the IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one?
The IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one (CID 62930046) is 1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one.
What is the SMILES notation for 1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one?
The canonical SMILES for 1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one is CNCCCC(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one?
The InChIKey is HUGWMBOXACQCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16-11-5-6-14(18)17-12-9-15(10-13-17)7-3-2-4-8-15/h16H,2-13H2,1H3.
What are the key properties of 1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one?
1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.56, 4 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)-4-(methylamino)butan-1-one is sourced from PubChem (CID 62930046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).