2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one

C16H30N2O — CID 119784789

IUPAC2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-3-8-15(2,17)14(19)18-12-7-11-16(13-18)9-5-4-6-10-16/h3-13,17H2,1-2H3
InChIKeyYTRQTHGRBQGDLB-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.08
Rot. Bonds3

About 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one

2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one (PubChem CID 119784789) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one
PubChem CID119784789
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-3-8-15(2,17)14(19)18-12-7-11-16(13-18)9-5-4-6-10-16/h3-13,17H2,1-2H3
InChIKeyYTRQTHGRBQGDLB-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
CID 119791877
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 79811127
2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 60848035
2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one
CID 107219893
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
2-amino-2-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119738915
1-(2-azaspiro[5.5]undecan-2-yl)ethanone
CID 18685206
2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119710551
2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119787781
2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119794919
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 60848400

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one (CID 119784789) is 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one is CCCC(C)(N)C(=O)N1CCCC2(CCCCC2)C1.
What is the InChIKey of 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one?
The InChIKey is YTRQTHGRBQGDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-8-15(2,17)14(19)18-12-7-11-16(13-18)9-5-4-6-10-16/h3-13,17H2,1-2H3.
What are the key properties of 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one?
2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one has a molecular weight of 266.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one is sourced from PubChem (CID 119784789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).