(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine

C11H24N2OSi — CID 59641056

IUPAC(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(N)=N1
InChIInChI=1S/C11H24N2OSi/c1-11(2,3)15(4,5)14-8-9-6-7-10(12)13-9/h9H,6-8H2,1-5H3,(H2,12,13)/t9-/m0/s1
InChIKeyQLGSGTSGTDYCRU-VIFPVBQESA-N
MW228.41 g/mol
LogP2.53
Rot. Bonds3

About (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 59641056) has the molecular formula C11H24N2OSi and a molecular weight of 228.41 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID59641056
Molecular FormulaC11H24N2OSi
Molecular Weight228.41 g/mol
Exact Mass228.17
IUPAC Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(N)=N1
InChIInChI=1S/C11H24N2OSi/c1-11(2,3)15(4,5)14-8-9-6-7-10(12)13-9/h9H,6-8H2,1-5H3,(H2,12,13)/t9-/m0/s1
InChIKeyQLGSGTSGTDYCRU-VIFPVBQESA-N
XLogP2.53
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 59641056) is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(N)=N1.
What is the InChIKey of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is QLGSGTSGTDYCRU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24N2OSi/c1-11(2,3)15(4,5)14-8-9-6-7-10(12)13-9/h9H,6-8H2,1-5H3,(H2,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine?
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 228.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 59641056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).