4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one

C12H25N3O — CID 116979897

IUPAC4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one
SMILESCNCC(C)(C)N1CC(C(C)(C)C)NC1=O
InChIInChI=1S/C12H25N3O/c1-11(2,3)9-7-15(10(16)14-9)12(4,5)8-13-6/h9,13H,7-8H2,1-6H3,(H,14,16)
InChIKeyHADNGRIHQAFYEQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.42
Rot. Bonds3

About 4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one

4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one (PubChem CID 116979897) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one
PubChem CID116979897
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one
SMILESCNCC(C)(C)N1CC(C(C)(C)C)NC1=O
InChIInChI=1S/C12H25N3O/c1-11(2,3)9-7-15(10(16)14-9)12(4,5)8-13-6/h9,13H,7-8H2,1-6H3,(H,14,16)
InChIKeyHADNGRIHQAFYEQ-UHFFFAOYSA-N
XLogP1.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methyl-1-(methylamino)propan-2-yl]-4-propylimidazolidin-2-one
CID 116979895
1-[2-methyl-1-(methylamino)propan-2-yl]-4-(oxan-4-yl)imidazolidin-2-one
CID 116979920
1-[2-methyl-1-(methylamino)propan-2-yl]-4-pyridin-4-ylimidazolidin-2-one
CID 116979916
4-tert-butyl-3-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one
CID 116982275
methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate
CID 116980353
4-tert-butyl-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one
CID 116979101
4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 116979067
4-(4-tert-butyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 116979825
1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 116978812
1-tert-butyl-4-ethylimidazolidin-2-one
CID 146336737
4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980688
4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117031345

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one?
The IUPAC name of 4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one (CID 116979897) is 4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one is CNCC(C)(C)N1CC(C(C)(C)C)NC1=O.
What is the InChIKey of 4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one?
The InChIKey is HADNGRIHQAFYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(2,3)9-7-15(10(16)14-9)12(4,5)8-13-6/h9,13H,7-8H2,1-6H3,(H,14,16).
What are the key properties of 4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one?
4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one has a molecular weight of 227.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one is sourced from PubChem (CID 116979897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).