1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine

C16H29NOSSi — CID 142701130

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine
SMILESCC(CO[Si](C)(C)C(C)(C)C)NC/C=C/c1cccs1
InChIInChI=1S/C16H29NOSSi/c1-14(13-18-20(5,6)16(2,3)4)17-11-7-9-15-10-8-12-19-15/h7-10,12,14,17H,11,13H2,1-6H3/b9-7+
InChIKeyBMPBBLDFRUAIMO-VQHVLOKHSA-N
MW311.57 g/mol
LogP4.76
Rot. Bonds7

About 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine

1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine (PubChem CID 142701130) has the molecular formula C16H29NOSSi and a molecular weight of 311.57 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine
PubChem CID142701130
Molecular FormulaC16H29NOSSi
Molecular Weight311.57 g/mol
Exact Mass311.17
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine
SMILESCC(CO[Si](C)(C)C(C)(C)C)NC/C=C/c1cccs1
InChIInChI=1S/C16H29NOSSi/c1-14(13-18-20(5,6)16(2,3)4)17-11-7-9-15-10-8-12-19-15/h7-10,12,14,17H,11,13H2,1-6H3/b9-7+
InChIKeyBMPBBLDFRUAIMO-VQHVLOKHSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 54.76
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 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine (CID 142701130) is 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine is CC(CO[Si](C)(C)C(C)(C)C)NC/C=C/c1cccs1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine?
The InChIKey is BMPBBLDFRUAIMO-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H29NOSSi/c1-14(13-18-20(5,6)16(2,3)4)17-11-7-9-15-10-8-12-19-15/h7-10,12,14,17H,11,13H2,1-6H3/b9-7+.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine?
1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine has a molecular weight of 311.57 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-thiophen-2-ylprop-2-enyl]propan-2-amine is sourced from PubChem (CID 142701130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).