1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one

C15H27N3O2 — CID 71632593

IUPAC1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one
SMILESCC(=O)N1CCC2(CCN(C(=O)C(N)C(C)C)CC2)C1
InChIInChI=1S/C15H27N3O2/c1-11(2)13(16)14(20)17-7-4-15(5-8-17)6-9-18(10-15)12(3)19/h11,13H,4-10,16H2,1-3H3
InChIKeyCAPWWFRGCQNBGQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.83
Rot. Bonds2

About 1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one

1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one (PubChem CID 71632593) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one
PubChem CID71632593
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one
SMILESCC(=O)N1CCC2(CCN(C(=O)C(N)C(C)C)CC2)C1
InChIInChI=1S/C15H27N3O2/c1-11(2)13(16)14(20)17-7-4-15(5-8-17)6-9-18(10-15)12(3)19/h11,13H,4-10,16H2,1-3H3
InChIKeyCAPWWFRGCQNBGQ-UHFFFAOYSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one
CID 98083841
2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
CID 175627364
(2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
CID 97174792
(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 63160186
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238
(2S)-2-amino-3-methyl-1-[(5S,8R)-8-(sulfanylmethyl)-2-azaspiro[4.4]nonan-2-yl]butan-1-one
CID 98083835
(2S)-1-(4-acetyl-1-thia-4,7-diazaspiro[4.4]nonan-7-yl)-2-amino-3-methylbutan-1-one
CID 169318518
1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981591

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one?
The IUPAC name of 1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one (CID 71632593) is 1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one.
What is the SMILES notation for 1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one?
The canonical SMILES for 1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one is CC(=O)N1CCC2(CCN(C(=O)C(N)C(C)C)CC2)C1.
What is the InChIKey of 1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one?
The InChIKey is CAPWWFRGCQNBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(2)13(16)14(20)17-7-4-15(5-8-17)6-9-18(10-15)12(3)19/h11,13H,4-10,16H2,1-3H3.
What are the key properties of 1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one?
1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one has a molecular weight of 281.40 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one is sourced from PubChem (CID 71632593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).