N-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine

C6H14Br7NSi3 — CID 140887895

IUPACN-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)[Si](Br)([Si](Br)(Br)Br)[Si](Br)(Br)Br
InChIInChI=1S/C6H14Br7NSi3/c1-5(2)14(6(3)4)17(13,15(7,8)9)16(10,11)12/h5-6H,1-4H3
InChIKeyZJYCNFQBISYHHC-UHFFFAOYSA-N
MW743.77 g/mol
LogP6.35
Rot. Bonds5

About N-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine

N-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine (PubChem CID 140887895) has the molecular formula C6H14Br7NSi3 and a molecular weight of 743.77 g/mol. Its IUPAC name is N-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine
PubChem CID140887895
Molecular FormulaC6H14Br7NSi3
Molecular Weight743.77 g/mol
Exact Mass736.47
IUPAC NameN-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)[Si](Br)([Si](Br)(Br)Br)[Si](Br)(Br)Br
InChIInChI=1S/C6H14Br7NSi3/c1-5(2)14(6(3)4)17(13,15(7,8)9)16(10,11)12/h5-6H,1-4H3
InChIKeyZJYCNFQBISYHHC-UHFFFAOYSA-N
XLogP6.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.77
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine (CID 140887895) is N-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)[Si](Br)([Si](Br)(Br)Br)[Si](Br)(Br)Br.
What is the InChIKey of N-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ZJYCNFQBISYHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Br7NSi3/c1-5(2)14(6(3)4)17(13,15(7,8)9)16(10,11)12/h5-6H,1-4H3.
What are the key properties of N-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine?
N-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 743.77 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bromo-bis(tribromosilyl)silyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 140887895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).