3-[(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]propan-1-amine

C17H36N2O3Si — CID 24813125

IUPAC3-[(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]propan-1-amine
SMILESCC1(C)O[C@H]2[C@H](CN(CCCN)[C@@H]2CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H36N2O3Si/c1-16(2,3)23(6,7)20-12-13-15-14(21-17(4,5)22-15)11-19(13)10-8-9-18/h13-15H,8-12,18H2,1-7H3/t13-,14+,15-/m1/s1
InChIKeyFSYZTFYOHXFBHX-QLFBSQMISA-N
MW344.57 g/mol
LogP2.56
Rot. Bonds6

About 3-[(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]propan-1-amine

3-[(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]propan-1-amine (PubChem CID 24813125) has the molecular formula C17H36N2O3Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 3-[(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]propan-1-amine.

Molecular Properties

Compound Name3-[(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]propan-1-amine
PubChem CID24813125
Molecular FormulaC17H36N2O3Si
Molecular Weight344.57 g/mol
Exact Mass344.25
IUPAC Name3-[(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]propan-1-amine
SMILESCC1(C)O[C@H]2[C@H](CN(CCCN)[C@@H]2CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H36N2O3Si/c1-16(2,3)23(6,7)20-12-13-15-14(21-17(4,5)22-15)11-19(13)10-8-9-18/h13-15H,8-12,18H2,1-7H3/t13-,14+,15-/m1/s1
InChIKeyFSYZTFYOHXFBHX-QLFBSQMISA-N
XLogP2.56
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 52.56
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 3-[(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]propan-1-amine?
The IUPAC name of 3-[(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]propan-1-amine (CID 24813125) is 3-[(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]propan-1-amine.
What is the SMILES notation for 3-[(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]propan-1-amine?
The canonical SMILES for 3-[(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]propan-1-amine is CC1(C)O[C@H]2[C@H](CN(CCCN)[C@@H]2CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 3-[(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]propan-1-amine?
The InChIKey is FSYZTFYOHXFBHX-QLFBSQMISA-N. The full InChI is InChI=1S/C17H36N2O3Si/c1-16(2,3)23(6,7)20-12-13-15-14(21-17(4,5)22-15)11-19(13)10-8-9-18/h13-15H,8-12,18H2,1-7H3/t13-,14+,15-/m1/s1.
What are the key properties of 3-[(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]propan-1-amine?
3-[(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]propan-1-amine has a molecular weight of 344.57 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(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]propan-1-amine is sourced from PubChem (CID 24813125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).