N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine

C14H31NSi2 — CID 86095281

IUPACN-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine
SMILESCCN(CC)[Si](C#CC[Si](C)(C)C)(CC)CC
InChIInChI=1S/C14H31NSi2/c1-8-15(9-2)17(10-3,11-4)14-12-13-16(5,6)7/h8-11,13H2,1-7H3
InChIKeyMLISYZSWVXLXPV-UHFFFAOYSA-N
MW269.58 g/mol
LogP4.19
Rot. Bonds6

About N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine

N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine (PubChem CID 86095281) has the molecular formula C14H31NSi2 and a molecular weight of 269.58 g/mol. Its IUPAC name is N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine
PubChem CID86095281
Molecular FormulaC14H31NSi2
Molecular Weight269.58 g/mol
Exact Mass269.20
IUPAC NameN-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine
SMILESCCN(CC)[Si](C#CC[Si](C)(C)C)(CC)CC
InChIInChI=1S/C14H31NSi2/c1-8-15(9-2)17(10-3,11-4)14-12-13-16(5,6)7/h8-11,13H2,1-7H3
InChIKeyMLISYZSWVXLXPV-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.58
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine?
The IUPAC name of N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine (CID 86095281) is N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine.
What is the SMILES notation for N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine?
The canonical SMILES for N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine is CCN(CC)[Si](C#CC[Si](C)(C)C)(CC)CC.
What is the InChIKey of N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine?
The InChIKey is MLISYZSWVXLXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NSi2/c1-8-15(9-2)17(10-3,11-4)14-12-13-16(5,6)7/h8-11,13H2,1-7H3.
What are the key properties of N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine?
N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine has a molecular weight of 269.58 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethyl(3-trimethylsilylprop-1-ynyl)silyl]-N-ethylethanamine is sourced from PubChem (CID 86095281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).