N-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine

C12H19NSi2 — CID 86230382

IUPACN-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine
SMILESC#C[Si](C)(C#C)[Si](C)(C#C)N(CC)CC
InChIInChI=1S/C12H19NSi2/c1-8-13(9-2)15(7,12-5)14(6,10-3)11-4/h3-5H,8-9H2,1-2,6-7H3
InChIKeyPYHTZKSPRMLBFP-UHFFFAOYSA-N
MW233.46 g/mol
LogP1.58
Rot. Bonds4

About N-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine

N-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine (PubChem CID 86230382) has the molecular formula C12H19NSi2 and a molecular weight of 233.46 g/mol. Its IUPAC name is N-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine
PubChem CID86230382
Molecular FormulaC12H19NSi2
Molecular Weight233.46 g/mol
Exact Mass233.11
IUPAC NameN-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine
SMILESC#C[Si](C)(C#C)[Si](C)(C#C)N(CC)CC
InChIInChI=1S/C12H19NSi2/c1-8-13(9-2)15(7,12-5)14(6,10-3)11-4/h3-5H,8-9H2,1-2,6-7H3
InChIKeyPYHTZKSPRMLBFP-UHFFFAOYSA-N
XLogP1.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.46
LogP ≤ 51.58
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-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine?
The IUPAC name of N-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine (CID 86230382) is N-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine.
What is the SMILES notation for N-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine?
The canonical SMILES for N-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine is C#C[Si](C)(C#C)[Si](C)(C#C)N(CC)CC.
What is the InChIKey of N-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine?
The InChIKey is PYHTZKSPRMLBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NSi2/c1-8-13(9-2)15(7,12-5)14(6,10-3)11-4/h3-5H,8-9H2,1-2,6-7H3.
What are the key properties of N-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine?
N-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine has a molecular weight of 233.46 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[diethynyl(methyl)silyl]-ethynyl-methylsilyl]-N-ethylethanamine is sourced from PubChem (CID 86230382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).