2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one

C16H30N2O — CID 62931087

IUPAC2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-3-13(2)14(17)15(19)18-11-9-16(10-12-18)7-5-4-6-8-16/h13-14H,3-12,17H2,1-2H3
InChIKeyBAPNETXDIYKKNZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.93
Rot. Bonds3

About 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one

2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one (PubChem CID 62931087) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one
PubChem CID62931087
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-3-13(2)14(17)15(19)18-11-9-16(10-12-18)7-5-4-6-8-16/h13-14H,3-12,17H2,1-2H3
InChIKeyBAPNETXDIYKKNZ-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119784774
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102
2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one
CID 119807658
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-3-methylpentan-1-one;hydrochloride
CID 119399357
2-amino-3-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119738906
ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate
CID 61041155
(2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one
CID 103929863
2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile
CID 62930586
2-amino-3-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 61419316
(2S)-2-amino-3-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 61419045

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one?
The IUPAC name of 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one (CID 62931087) is 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one is CCC(C)C(N)C(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one?
The InChIKey is BAPNETXDIYKKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-13(2)14(17)15(19)18-11-9-16(10-12-18)7-5-4-6-8-16/h13-14H,3-12,17H2,1-2H3.
What are the key properties of 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one?
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one is sourced from PubChem (CID 62931087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).