4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine

C16H27NSi2 — CID 13332923

IUPAC4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine
SMILESC[Si](C)(C)N(CC#CCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H27NSi2/c1-18(2,3)17(19(4,5)6)15-11-10-14-16-12-8-7-9-13-16/h7-9,12-13H,14-15H2,1-6H3
InChIKeyHRZUFUQBYCPHHW-UHFFFAOYSA-N
MW289.57 g/mol
LogP4.20
Rot. Bonds4

About 4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine

4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine (PubChem CID 13332923) has the molecular formula C16H27NSi2 and a molecular weight of 289.57 g/mol. Its IUPAC name is 4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine.

Molecular Properties

Compound Name4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine
PubChem CID13332923
Molecular FormulaC16H27NSi2
Molecular Weight289.57 g/mol
Exact Mass289.17
IUPAC Name4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine
SMILESC[Si](C)(C)N(CC#CCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H27NSi2/c1-18(2,3)17(19(4,5)6)15-11-10-14-16-12-8-7-9-13-16/h7-9,12-13H,14-15H2,1-6H3
InChIKeyHRZUFUQBYCPHHW-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.57
LogP ≤ 54.20
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 4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine?
The IUPAC name of 4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine (CID 13332923) is 4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine.
What is the SMILES notation for 4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine?
The canonical SMILES for 4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine is C[Si](C)(C)N(CC#CCc1ccccc1)[Si](C)(C)C.
What is the InChIKey of 4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine?
The InChIKey is HRZUFUQBYCPHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NSi2/c1-18(2,3)17(19(4,5)6)15-11-10-14-16-12-8-7-9-13-16/h7-9,12-13H,14-15H2,1-6H3.
What are the key properties of 4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine?
4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine has a molecular weight of 289.57 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N,N-bis(trimethylsilyl)but-2-yn-1-amine is sourced from PubChem (CID 13332923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).