bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine)

C96H204N12O4 — CID 158787394

IUPACbis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine)
SMILESCC(C)(C)N[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)N[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)N[C@H]1CCN(C(C)(C)C)C1.CC(C)(C)N[C@H]1CCN(C(C)(C)C)C1.CC(C)(C)O[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)O[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)O[C@H]1CCN(C(C)(C)C)C1.CC(C)(C)O[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/4C12H26N2.4C12H25NO/c4*1-11(2,3)13-10-7-8-14(9-10)12(4,5)6;4*1-11(2,3)13-8-7-10(9-13)14-12(4,5)6/h4*10,13H,7-9H2,1-6H3;4*10H,7-9H2,1-6H3/t8*10-/m11001100/s1
InChIKeyIRVWALWCWSWIJD-LJDGLEEZSA-N
MW1590.77 g/mol
LogP19.69
Rot. Bonds8

About bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine)

bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine) (PubChem CID 158787394) has the molecular formula C96H204N12O4 and a molecular weight of 1590.77 g/mol. Its IUPAC name is bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine).

Molecular Properties

Compound Namebis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine)
PubChem CID158787394
Molecular FormulaC96H204N12O4
Molecular Weight1590.77 g/mol
Exact Mass1589.61
IUPAC Namebis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine)
SMILESCC(C)(C)N[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)N[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)N[C@H]1CCN(C(C)(C)C)C1.CC(C)(C)N[C@H]1CCN(C(C)(C)C)C1.CC(C)(C)O[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)O[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)O[C@H]1CCN(C(C)(C)C)C1.CC(C)(C)O[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/4C12H26N2.4C12H25NO/c4*1-11(2,3)13-10-7-8-14(9-10)12(4,5)6;4*1-11(2,3)13-8-7-10(9-13)14-12(4,5)6/h4*10,13H,7-9H2,1-6H3;4*10H,7-9H2,1-6H3/t8*10-/m11001100/s1
InChIKeyIRVWALWCWSWIJD-LJDGLEEZSA-N
XLogP19.69
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001590.77
LogP ≤ 519.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine) with MolForge

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Related Compounds

1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59522786
1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine
CID 135165028
1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine
CID 146549005
tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
N-tert-butyl-1-methylpyrrolidin-3-amine;ethane
CID 167501392
N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxymethanimine
CID 129267612
1-[3-(tert-butylamino)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 164785489
(3S)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine
CID 170651705
N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine
CID 58109911
4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine
CID 117046241
(3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine
CID 170651654
1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 58721733

Frequently Asked Questions

What is the IUPAC name of bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine)?
The IUPAC name of bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine) (CID 158787394) is bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine).
What is the SMILES notation for bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine)?
The canonical SMILES for bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine) is CC(C)(C)N[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)N[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)N[C@H]1CCN(C(C)(C)C)C1.CC(C)(C)N[C@H]1CCN(C(C)(C)C)C1.CC(C)(C)O[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)O[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)O[C@H]1CCN(C(C)(C)C)C1.CC(C)(C)O[C@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine)?
The InChIKey is IRVWALWCWSWIJD-LJDGLEEZSA-N. The full InChI is InChI=1S/4C12H26N2.4C12H25NO/c4*1-11(2,3)13-10-7-8-14(9-10)12(4,5)6;4*1-11(2,3)13-8-7-10(9-13)14-12(4,5)6/h4*10,13H,7-9H2,1-6H3;4*10H,7-9H2,1-6H3/t8*10-/m11001100/s1.
What are the key properties of bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine)?
bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine) has a molecular weight of 1590.77 g/mol, XLogP of 19.69, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine) is sourced from PubChem (CID 158787394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).