N-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine

C12H29NSi2 — CID 87571533

IUPACN-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine
SMILESC/C=C(\C)[Si](CCC)(NCC)[Si](C)(C)C
InChIInChI=1S/C12H29NSi2/c1-8-11-15(13-10-3,12(4)9-2)14(5,6)7/h9,13H,8,10-11H2,1-7H3/b12-9+
InChIKeyMBSBVHKOTKIEBL-FMIVXFBMSA-N
MW243.54 g/mol
LogP3.87
Rot. Bonds6

About N-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine

N-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine (PubChem CID 87571533) has the molecular formula C12H29NSi2 and a molecular weight of 243.54 g/mol. Its IUPAC name is N-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine.

Molecular Properties

Compound NameN-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine
PubChem CID87571533
Molecular FormulaC12H29NSi2
Molecular Weight243.54 g/mol
Exact Mass243.18
IUPAC NameN-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine
SMILESC/C=C(\C)[Si](CCC)(NCC)[Si](C)(C)C
InChIInChI=1S/C12H29NSi2/c1-8-11-15(13-10-3,12(4)9-2)14(5,6)7/h9,13H,8,10-11H2,1-7H3/b12-9+
InChIKeyMBSBVHKOTKIEBL-FMIVXFBMSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.54
LogP ≤ 53.87
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]-propyl-trimethylsilylsilyl]ethanamine?
The IUPAC name of N-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine (CID 87571533) is N-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine.
What is the SMILES notation for N-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine?
The canonical SMILES for N-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine is C/C=C(\C)[Si](CCC)(NCC)[Si](C)(C)C.
What is the InChIKey of N-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine?
The InChIKey is MBSBVHKOTKIEBL-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H29NSi2/c1-8-11-15(13-10-3,12(4)9-2)14(5,6)7/h9,13H,8,10-11H2,1-7H3/b12-9+.
What are the key properties of N-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine?
N-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine has a molecular weight of 243.54 g/mol, XLogP of 3.87, 6 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]-propyl-trimethylsilylsilyl]ethanamine is sourced from PubChem (CID 87571533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).