3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine

C13H27N3OSi — CID 20728226

IUPAC3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCc1cn(CCCN)cn1
InChIInChI=1S/C13H27N3OSi/c1-13(2,3)18(4,5)17-10-12-9-16(11-15-12)8-6-7-14/h9,11H,6-8,10,14H2,1-5H3
InChIKeyMVRIJADPEQFTRM-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.75
Rot. Bonds6

About 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine

3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine (PubChem CID 20728226) has the molecular formula C13H27N3OSi and a molecular weight of 269.46 g/mol. Its IUPAC name is 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine
PubChem CID20728226
Molecular FormulaC13H27N3OSi
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCc1cn(CCCN)cn1
InChIInChI=1S/C13H27N3OSi/c1-13(2,3)18(4,5)17-10-12-9-16(11-15-12)8-6-7-14/h9,11H,6-8,10,14H2,1-5H3
InChIKeyMVRIJADPEQFTRM-UHFFFAOYSA-N
XLogP2.75
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine (CID 20728226) is 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine is CC(C)(C)[Si](C)(C)OCc1cn(CCCN)cn1.
What is the InChIKey of 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine?
The InChIKey is MVRIJADPEQFTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3OSi/c1-13(2,3)18(4,5)17-10-12-9-16(11-15-12)8-6-7-14/h9,11H,6-8,10,14H2,1-5H3.
What are the key properties of 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine?
3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine has a molecular weight of 269.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 20728226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).