4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one

C13H27N3O — CID 116982294

IUPAC4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one
SMILESCNC(C)(C)CN1CC(C(C)(C)C)N(C)C1=O
InChIInChI=1S/C13H27N3O/c1-12(2,3)10-8-16(11(17)15(10)7)9-13(4,5)14-6/h10,14H,8-9H2,1-7H3
InChIKeyZVERQDLNIUEKRN-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.77
Rot. Bonds3

About 4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one

4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one (PubChem CID 116982294) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one
PubChem CID116982294
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one
SMILESCNC(C)(C)CN1CC(C(C)(C)C)N(C)C1=O
InChIInChI=1S/C13H27N3O/c1-12(2,3)10-8-16(11(17)15(10)7)9-13(4,5)14-6/h10,14H,8-9H2,1-7H3
InChIKeyZVERQDLNIUEKRN-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile
CID 116982510
methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate
CID 116982564
4-tert-butyl-3-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one
CID 116982275
4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one
CID 116981844
1-[2-methyl-2-(methylamino)propyl]-4-(2-methylpropyl)imidazolidin-2-one
CID 116979929
(4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one
CID 58324644
1-(3-amino-2,2-dimethylpropyl)-3,4-dimethylimidazolidin-2-one
CID 116981630
(2S,5R)-2-tert-butyl-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 158058958
4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one
CID 116981878
4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one
CID 116979937
4,5-ditert-butyl-1-propylpiperazin-2-one
CID 166970143
1-(2-amino-2-methylpropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 116981402

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one?
The IUPAC name of 4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one (CID 116982294) is 4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one.
What is the SMILES notation for 4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one?
The canonical SMILES for 4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one is CNC(C)(C)CN1CC(C(C)(C)C)N(C)C1=O.
What is the InChIKey of 4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one?
The InChIKey is ZVERQDLNIUEKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(2,3)10-8-16(11(17)15(10)7)9-13(4,5)14-6/h10,14H,8-9H2,1-7H3.
What are the key properties of 4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one?
4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one has a molecular weight of 241.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one is sourced from PubChem (CID 116982294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).