1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane

C25H50N4O3 — CID 160681254

IUPAC1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane
SMILESC.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCC1=O.CN1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C8H16N2O.2C8H15NO.CH4/c1-8(2,3)10-6-5-9(4)7(10)11;2*1-8(2,3)9-6-4-5-7(9)10;/h5-6H2,1-4H3;2*4-6H2,1-3H3;1H4
InChIKeyROEDDAYMVYYTSF-UHFFFAOYSA-N
MW454.70 g/mol
LogP4.60
Rot. Bonds

About 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane

1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane (PubChem CID 160681254) has the molecular formula C25H50N4O3 and a molecular weight of 454.70 g/mol. Its IUPAC name is 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane.

Molecular Properties

Compound Name1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane
PubChem CID160681254
Molecular FormulaC25H50N4O3
Molecular Weight454.70 g/mol
Exact Mass454.39
IUPAC Name1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane
SMILESC.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCC1=O.CN1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C8H16N2O.2C8H15NO.CH4/c1-8(2,3)10-6-5-9(4)7(10)11;2*1-8(2,3)9-6-4-5-7(9)10;/h5-6H2,1-4H3;2*4-6H2,1-3H3;1H4
InChIKeyROEDDAYMVYYTSF-UHFFFAOYSA-N
XLogP4.60
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.70
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Dimethyl-1,3-bis(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione
CID 20350508
Bis(1,3-dimethylimidazolidin-2-one);1-methylpyrrolidin-2-one;1,5,5-trimethylpyrrolidin-2-one
CID 157772233
5,5-Dimethyl-3-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylimidazolidine-2,4-dione;1-propan-2-ylpyrrolidin-2-one
CID 157929378
Hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine
CID 158134222
Ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one
CID 158646811
1-Tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one
CID 158757312
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane
CID 158949460
1-Tert-butyl-5,5-dimethylpyrrolidin-2-one;bis(1-tert-butyl-3-methylimidazolidin-2-one);1-tert-butylpyrrolidin-2-one;methane
CID 160104550
1-Tert-butyl-3-methylimidazolidin-2-one;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpyrrolidin-2-one
CID 160435331
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one)
CID 160661672
Ethane;methane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one
CID 160912149
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane
CID 160955202

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane?
The IUPAC name of 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane (CID 160681254) is 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane.
What is the SMILES notation for 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane?
The canonical SMILES for 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane is C.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCC1=O.CN1CCN(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane?
The InChIKey is ROEDDAYMVYYTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.2C8H15NO.CH4/c1-8(2,3)10-6-5-9(4)7(10)11;2*1-8(2,3)9-6-4-5-7(9)10;/h5-6H2,1-4H3;2*4-6H2,1-3H3;1H4.
What are the key properties of 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane?
1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane has a molecular weight of 454.70 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane is sourced from PubChem (CID 160681254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).