4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine

C10H22BrNSi2 — CID 134921026

IUPAC4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine
SMILESC[Si](C)(C)N(CCC#CBr)[Si](C)(C)C
InChIInChI=1S/C10H22BrNSi2/c1-13(2,3)12(14(4,5)6)10-8-7-9-11/h8,10H2,1-6H3
InChIKeyLRNGZMQNHYMAFT-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.70
Rot. Bonds4

About 4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine

4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine (PubChem CID 134921026) has the molecular formula C10H22BrNSi2 and a molecular weight of 292.37 g/mol. Its IUPAC name is 4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine.

Molecular Properties

Compound Name4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine
PubChem CID134921026
Molecular FormulaC10H22BrNSi2
Molecular Weight292.37 g/mol
Exact Mass291.05
IUPAC Name4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine
SMILESC[Si](C)(C)N(CCC#CBr)[Si](C)(C)C
InChIInChI=1S/C10H22BrNSi2/c1-13(2,3)12(14(4,5)6)10-8-7-9-11/h8,10H2,1-6H3
InChIKeyLRNGZMQNHYMAFT-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.70
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-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine?
The IUPAC name of 4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine (CID 134921026) is 4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine.
What is the SMILES notation for 4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine?
The canonical SMILES for 4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine is C[Si](C)(C)N(CCC#CBr)[Si](C)(C)C.
What is the InChIKey of 4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine?
The InChIKey is LRNGZMQNHYMAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNSi2/c1-13(2,3)12(14(4,5)6)10-8-7-9-11/h8,10H2,1-6H3.
What are the key properties of 4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine?
4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine has a molecular weight of 292.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-bis(trimethylsilyl)but-3-yn-1-amine is sourced from PubChem (CID 134921026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).