ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one

C42H87N7O2 — CID 159664468

IUPACethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
SMILESCC.CC.CC(C)N1CCC(N2CCCC2=O)C1.CC(C)N1CCC(N2CCN(C)C2=O)C1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)C1
InChIInChI=1S/C11H21N3O.C11H20N2O.2C8H17N.2C2H6/c1-9(2)13-5-4-10(8-13)14-7-6-12(3)11(14)15;1-9(2)12-7-5-10(8-12)13-6-3-4-11(13)14;2*1-7(2)9-5-4-8(3)6-9;2*1-2/h9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;2*7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeyMTFMCTZIMONHJI-UHFFFAOYSA-N
MW722.21 g/mol
LogP7.45
Rot. Bonds6

About ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one

ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one (PubChem CID 159664468) has the molecular formula C42H87N7O2 and a molecular weight of 722.21 g/mol. Its IUPAC name is ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
PubChem CID159664468
Molecular FormulaC42H87N7O2
Molecular Weight722.21 g/mol
Exact Mass721.69
IUPAC Nameethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
SMILESCC.CC.CC(C)N1CCC(N2CCCC2=O)C1.CC(C)N1CCC(N2CCN(C)C2=O)C1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)C1
InChIInChI=1S/C11H21N3O.C11H20N2O.2C8H17N.2C2H6/c1-9(2)13-5-4-10(8-13)14-7-6-12(3)11(14)15;1-9(2)12-7-5-10(8-12)13-6-3-4-11(13)14;2*1-7(2)9-5-4-8(3)6-9;2*1-2/h9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;2*7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeyMTFMCTZIMONHJI-UHFFFAOYSA-N
XLogP7.45
TPSA56.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.21
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one with MolForge

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Related Compounds

1-[[3-[[1-[[3-[(1-Ethyl-4-methyl-2,5-dioxopyrrolidin-3-yl)-methylamino]-4-methyl-2,5-dioxopyrrolidin-1-yl]methyl]-4-methyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-4-methyl-2,5-dioxopyrrolidin-1-yl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 126579307
Ethane;methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
CID 157871721
Ethane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
CID 158069969
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane
CID 158949460
Ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
CID 159931376
Ethane;3-methyl-1-propan-2-ylpiperidine;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
CID 160264936
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one)
CID 160661672
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane
CID 160955202

Frequently Asked Questions

What is the IUPAC name of ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one?
The IUPAC name of ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one (CID 159664468) is ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one?
The canonical SMILES for ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one is CC.CC.CC(C)N1CCC(N2CCCC2=O)C1.CC(C)N1CCC(N2CCN(C)C2=O)C1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)C1.
What is the InChIKey of ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one?
The InChIKey is MTFMCTZIMONHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.C11H20N2O.2C8H17N.2C2H6/c1-9(2)13-5-4-10(8-13)14-7-6-12(3)11(14)15;1-9(2)12-7-5-10(8-12)13-6-3-4-11(13)14;2*1-7(2)9-5-4-8(3)6-9;2*1-2/h9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;2*7-8H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one?
ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one has a molecular weight of 722.21 g/mol, XLogP of 7.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(3-methyl-1-propan-2-ylpyrrolidine);1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 159664468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).