N-[[(E)-but-2-en-2-yl]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine

C17H39NSi2 — CID 87572118

IUPACN-[[(E)-but-2-en-2-yl]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine
SMILESC/C=C(\C)[Si](CC)(NCC)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H39NSi2/c1-11-17(10)19(13-3,18-12-2)20(14(4)5,15(6)7)16(8)9/h11,14-16,18H,12-13H2,1-10H3/b17-11+
InChIKeyXMFAVKWOZXAJOR-GZTJUZNOSA-N
MW313.68 g/mol
LogP5.82
Rot. Bonds8

About N-[[(E)-but-2-en-2-yl]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine

N-[[(E)-but-2-en-2-yl]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine (PubChem CID 87572118) 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]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine.

Molecular Properties

Compound NameN-[[(E)-but-2-en-2-yl]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine
PubChem CID87572118
Molecular FormulaC17H39NSi2
Molecular Weight313.68 g/mol
Exact Mass313.26
IUPAC NameN-[[(E)-but-2-en-2-yl]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine
SMILESC/C=C(\C)[Si](CC)(NCC)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H39NSi2/c1-11-17(10)19(13-3,18-12-2)20(14(4)5,15(6)7)16(8)9/h11,14-16,18H,12-13H2,1-10H3/b17-11+
InChIKeyXMFAVKWOZXAJOR-GZTJUZNOSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine?
The IUPAC name of N-[[(E)-but-2-en-2-yl]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine (CID 87572118) is N-[[(E)-but-2-en-2-yl]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine.
What is the SMILES notation for N-[[(E)-but-2-en-2-yl]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine?
The canonical SMILES for N-[[(E)-but-2-en-2-yl]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine is C/C=C(\C)[Si](CC)(NCC)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of N-[[(E)-but-2-en-2-yl]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine?
The InChIKey is XMFAVKWOZXAJOR-GZTJUZNOSA-N. The full InChI is InChI=1S/C17H39NSi2/c1-11-17(10)19(13-3,18-12-2)20(14(4)5,15(6)7)16(8)9/h11,14-16,18H,12-13H2,1-10H3/b17-11+.
What are the key properties of N-[[(E)-but-2-en-2-yl]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine?
N-[[(E)-but-2-en-2-yl]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine has a molecular weight of 313.68 g/mol, XLogP of 5.82, 8 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]-ethyl-tri(propan-2-yl)silylsilyl]ethanamine is sourced from PubChem (CID 87572118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).