4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine

C16H28IN3OSi — CID 99768772

IUPAC4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2c(N)cncc2I)C1
InChIInChI=1S/C16H28IN3OSi/c1-16(2,3)22(4,5)21-11-12-6-7-20(10-12)15-13(17)8-19-9-14(15)18/h8-9,12H,6-7,10-11,18H2,1-5H3/t12-/m1/s1
InChIKeyNQUOHPYVNRCUHP-GFCCVEGCSA-N
MW433.41 g/mol
LogP4.12
Rot. Bonds4

About 4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine

4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine (PubChem CID 99768772) has the molecular formula C16H28IN3OSi and a molecular weight of 433.41 g/mol. Its IUPAC name is 4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine.

Molecular Properties

Compound Name4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine
PubChem CID99768772
Molecular FormulaC16H28IN3OSi
Molecular Weight433.41 g/mol
Exact Mass433.10
IUPAC Name4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2c(N)cncc2I)C1
InChIInChI=1S/C16H28IN3OSi/c1-16(2,3)22(4,5)21-11-12-6-7-20(10-12)15-13(17)8-19-9-14(15)18/h8-9,12H,6-7,10-11,18H2,1-5H3/t12-/m1/s1
InChIKeyNQUOHPYVNRCUHP-GFCCVEGCSA-N
XLogP4.12
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine?
The IUPAC name of 4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine (CID 99768772) is 4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine.
What is the SMILES notation for 4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine?
The canonical SMILES for 4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine is CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2c(N)cncc2I)C1.
What is the InChIKey of 4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine?
The InChIKey is NQUOHPYVNRCUHP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H28IN3OSi/c1-16(2,3)22(4,5)21-11-12-6-7-20(10-12)15-13(17)8-19-9-14(15)18/h8-9,12H,6-7,10-11,18H2,1-5H3/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine?
4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine has a molecular weight of 433.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-iodopyridin-3-amine is sourced from PubChem (CID 99768772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).