2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine

C16H34N2O3Si — CID 24813002

IUPAC2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine
SMILESCC1(C)O[C@H]2[C@H](CN(CCN)[C@@H]2CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H34N2O3Si/c1-15(2,3)22(6,7)19-11-12-14-13(10-18(12)9-8-17)20-16(4,5)21-14/h12-14H,8-11,17H2,1-7H3/t12-,13+,14-/m1/s1
InChIKeySDJFOAKNBLTMSD-HZSPNIEDSA-N
MW330.55 g/mol
LogP2.17
Rot. Bonds5

About 2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine

2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine (PubChem CID 24813002) has the molecular formula C16H34N2O3Si and a molecular weight of 330.55 g/mol. Its IUPAC name is 2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine
PubChem CID24813002
Molecular FormulaC16H34N2O3Si
Molecular Weight330.55 g/mol
Exact Mass330.23
IUPAC Name2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine
SMILESCC1(C)O[C@H]2[C@H](CN(CCN)[C@@H]2CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H34N2O3Si/c1-15(2,3)22(6,7)19-11-12-14-13(10-18(12)9-8-17)20-16(4,5)21-14/h12-14H,8-11,17H2,1-7H3/t12-,13+,14-/m1/s1
InChIKeySDJFOAKNBLTMSD-HZSPNIEDSA-N
XLogP2.17
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.55
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine?
The IUPAC name of 2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine (CID 24813002) is 2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine.
What is the SMILES notation for 2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine?
The canonical SMILES for 2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine is CC1(C)O[C@H]2[C@H](CN(CCN)[C@@H]2CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine?
The InChIKey is SDJFOAKNBLTMSD-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H34N2O3Si/c1-15(2,3)22(6,7)19-11-12-14-13(10-18(12)9-8-17)20-16(4,5)21-14/h12-14H,8-11,17H2,1-7H3/t12-,13+,14-/m1/s1.
What are the key properties of 2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine?
2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine has a molecular weight of 330.55 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]ethanamine is sourced from PubChem (CID 24813002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).