N-[[(E)-but-2-en-2-yl]-propyl-triethylsilylsilyl]butan-2-amine

C17H39NSi2 — CID 87571717

IUPACN-[[(E)-but-2-en-2-yl]-propyl-triethylsilylsilyl]butan-2-amine
SMILESC/C=C(\C)[Si](CCC)(NC(C)CC)[Si](CC)(CC)CC
InChIInChI=1S/C17H39NSi2/c1-9-15-20(17(8)11-3,18-16(7)10-2)19(12-4,13-5)14-6/h11,16,18H,9-10,12-15H2,1-8H3/b17-11+
InChIKeyKRAXZMJACATXGZ-GZTJUZNOSA-N
MW313.68 g/mol
LogP5.82
Rot. Bonds10

About N-[[(E)-but-2-en-2-yl]-propyl-triethylsilylsilyl]butan-2-amine

N-[[(E)-but-2-en-2-yl]-propyl-triethylsilylsilyl]butan-2-amine (PubChem CID 87571717) 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]-propyl-triethylsilylsilyl]butan-2-amine.

Molecular Properties

Compound NameN-[[(E)-but-2-en-2-yl]-propyl-triethylsilylsilyl]butan-2-amine
PubChem CID87571717
Molecular FormulaC17H39NSi2
Molecular Weight313.68 g/mol
Exact Mass313.26
IUPAC NameN-[[(E)-but-2-en-2-yl]-propyl-triethylsilylsilyl]butan-2-amine
SMILESC/C=C(\C)[Si](CCC)(NC(C)CC)[Si](CC)(CC)CC
InChIInChI=1S/C17H39NSi2/c1-9-15-20(17(8)11-3,18-16(7)10-2)19(12-4,13-5)14-6/h11,16,18H,9-10,12-15H2,1-8H3/b17-11+
InChIKeyKRAXZMJACATXGZ-GZTJUZNOSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
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]-propyl-triethylsilylsilyl]butan-2-amine?
The IUPAC name of N-[[(E)-but-2-en-2-yl]-propyl-triethylsilylsilyl]butan-2-amine (CID 87571717) is N-[[(E)-but-2-en-2-yl]-propyl-triethylsilylsilyl]butan-2-amine.
What is the SMILES notation for N-[[(E)-but-2-en-2-yl]-propyl-triethylsilylsilyl]butan-2-amine?
The canonical SMILES for N-[[(E)-but-2-en-2-yl]-propyl-triethylsilylsilyl]butan-2-amine is C/C=C(\C)[Si](CCC)(NC(C)CC)[Si](CC)(CC)CC.
What is the InChIKey of N-[[(E)-but-2-en-2-yl]-propyl-triethylsilylsilyl]butan-2-amine?
The InChIKey is KRAXZMJACATXGZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C17H39NSi2/c1-9-15-20(17(8)11-3,18-16(7)10-2)19(12-4,13-5)14-6/h11,16,18H,9-10,12-15H2,1-8H3/b17-11+.
What are the key properties of N-[[(E)-but-2-en-2-yl]-propyl-triethylsilylsilyl]butan-2-amine?
N-[[(E)-but-2-en-2-yl]-propyl-triethylsilylsilyl]butan-2-amine has a molecular weight of 313.68 g/mol, XLogP of 5.82, 10 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-triethylsilylsilyl]butan-2-amine is sourced from PubChem (CID 87571717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).