2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one

C12H22N2O — CID 119326633

IUPAC2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC2(CCC2)C1
InChIInChI=1S/C12H22N2O/c1-9(2)10(13)11(15)14-7-6-12(8-14)4-3-5-12/h9-10H,3-8,13H2,1-2H3
InChIKeyWEPIWCQHGUOHFB-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.37
Rot. Bonds2

About 2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one

2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one (PubChem CID 119326633) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
PubChem CID119326633
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC2(CCC2)C1
InChIInChI=1S/C12H22N2O/c1-9(2)10(13)11(15)14-7-6-12(8-14)4-3-5-12/h9-10H,3-8,13H2,1-2H3
InChIKeyWEPIWCQHGUOHFB-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one
CID 71632593
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238
(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one
CID 98083841
(2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one
CID 99852473
1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one
CID 130516375
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
(2S)-2-amino-3-methyl-1-[(5S,8R)-8-(sulfanylmethyl)-2-azaspiro[4.4]nonan-2-yl]butan-1-one
CID 98083835
1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one
CID 130164939
1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981591
(2R)-2-amino-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one;hydrochloride
CID 119338501
2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 119333395

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one (CID 119326633) is 2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one is CC(C)C(N)C(=O)N1CCC2(CCC2)C1.
What is the InChIKey of 2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one?
The InChIKey is WEPIWCQHGUOHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)10(13)11(15)14-7-6-12(8-14)4-3-5-12/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one?
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one is sourced from PubChem (CID 119326633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).