N-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine

C17H39NSi2 — CID 87571547

IUPACN-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine
SMILESC/C=C(\C)[Si](CCC)(NC(C)CC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H39NSi2/c1-11-14-20(16(5)13-3,18-15(4)12-2)19(9,10)17(6,7)8/h13,15,18H,11-12,14H2,1-10H3/b16-13+
InChIKeyLITSLWBDXCFIGL-DTQAZKPQSA-N
MW313.68 g/mol
LogP5.82
Rot. Bonds7

About N-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine

N-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine (PubChem CID 87571547) has the molecular formula C17H39NSi2 and a molecular weight of 313.68 g/mol. Its IUPAC name is N-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine.

Molecular Properties

Compound NameN-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine
PubChem CID87571547
Molecular FormulaC17H39NSi2
Molecular Weight313.68 g/mol
Exact Mass313.26
IUPAC NameN-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine
SMILESC/C=C(\C)[Si](CCC)(NC(C)CC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H39NSi2/c1-11-14-20(16(5)13-3,18-15(4)12-2)19(9,10)17(6,7)8/h13,15,18H,11-12,14H2,1-10H3/b16-13+
InChIKeyLITSLWBDXCFIGL-DTQAZKPQSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.68
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine?
The IUPAC name of N-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine (CID 87571547) is N-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine.
What is the SMILES notation for N-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine?
The canonical SMILES for N-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine is C/C=C(\C)[Si](CCC)(NC(C)CC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine?
The InChIKey is LITSLWBDXCFIGL-DTQAZKPQSA-N. The full InChI is InChI=1S/C17H39NSi2/c1-11-14-20(16(5)13-3,18-15(4)12-2)19(9,10)17(6,7)8/h13,15,18H,11-12,14H2,1-10H3/b16-13+.
What are the key properties of N-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine?
N-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine has a molecular weight of 313.68 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-but-2-en-2-yl]-[tert-butyl(dimethyl)silyl]-propylsilyl]butan-2-amine is sourced from PubChem (CID 87571547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).