2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one

C12H21N3O — CID 82999321

IUPAC2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)(C)NC1=NC2(CCCCC2)C(=O)N1
InChIInChI=1S/C12H21N3O/c1-11(2,3)14-10-13-9(16)12(15-10)7-5-4-6-8-12/h4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyPHMMORZJTOCXKR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds

About 2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one

2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one (PubChem CID 82999321) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one
PubChem CID82999321
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)(C)NC1=NC2(CCCCC2)C(=O)N1
InChIInChI=1S/C12H21N3O/c1-11(2,3)14-10-13-9(16)12(15-10)7-5-4-6-8-12/h4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyPHMMORZJTOCXKR-UHFFFAOYSA-N
XLogP1.56
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Tert-butylamino)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 82998120
2-(Tert-butylamino)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 82998975
2-(tert-butylamino)-4-methyl-4-(4,4,4-trifluorobutyl)-1H-imidazol-5-one
CID 116536474
2-Butyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 19379820
2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1H-imidazol-5-one
CID 57843890
(5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one
CID 59387876
(5S)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one
CID 68102615
2-Amino-4-(2-cyclohexylethyl)-1,4-dihydroimidazol-5-one
CID 68298122
2-Amino-5-(cyclohexylmethyl)-5-ethyl-3-methylimidazol-4-one
CID 68322364
(4R)-2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1H-imidazol-5-one
CID 68322391
2-amino-4,4-dipentyl-1H-imidazol-5-one
CID 69189943
(5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one
CID 70141171

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one (CID 82999321) is 2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one is CC(C)(C)NC1=NC2(CCCCC2)C(=O)N1.
What is the InChIKey of 2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one?
The InChIKey is PHMMORZJTOCXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2,3)14-10-13-9(16)12(15-10)7-5-4-6-8-12/h4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one?
2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one has a molecular weight of 223.32 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 82999321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).