4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one

C15H28N2O — CID 81079240

IUPAC4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-13(12-16)11-14(18)17-9-7-15(8-10-17)5-3-2-4-6-15/h13H,2-12,16H2,1H3
InChIKeyTZXFYOLOWDWEGO-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.54
Rot. Bonds3

About 4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one

4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one (PubChem CID 81079240) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one
PubChem CID81079240
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-13(12-16)11-14(18)17-9-7-15(8-10-17)5-3-2-4-6-15/h13H,2-12,16H2,1H3
InChIKeyTZXFYOLOWDWEGO-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one 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

4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
CID 62937582
4-amino-1-(3,3-diethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 81079989
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
4-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 81071277
1-(8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 63163607
2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone
CID 104678183
4-amino-3-methyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 81079619
5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 81087263
1-(4-amino-3-methylbutanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 81079606
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one
CID 62931087

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one?
The IUPAC name of 4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one (CID 81079240) is 4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one is CC(CN)CC(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one?
The InChIKey is TZXFYOLOWDWEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(12-16)11-14(18)17-9-7-15(8-10-17)5-3-2-4-6-15/h13H,2-12,16H2,1H3.
What are the key properties of 4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one?
4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one is sourced from PubChem (CID 81079240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).