[[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane

C3H9B3Br3N — CID 13449760

IUPAC[[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane
SMILESCB(Br)N(B(C)Br)B(C)Br
InChIInChI=1S/C3H9B3Br3N/c1-4(7)10(5(2)8)6(3)9/h1-3H3
InChIKeyNTPKAGPQUFKEDF-UHFFFAOYSA-N
MW331.26 g/mol
LogP2.83
Rot. Bonds3

About [[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane

[[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane (PubChem CID 13449760) has the molecular formula C3H9B3Br3N and a molecular weight of 331.26 g/mol. Its IUPAC name is [[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane.

Molecular Properties

Compound Name[[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane
PubChem CID13449760
Molecular FormulaC3H9B3Br3N
Molecular Weight331.26 g/mol
Exact Mass328.86
IUPAC Name[[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane
SMILESCB(Br)N(B(C)Br)B(C)Br
InChIInChI=1S/C3H9B3Br3N/c1-4(7)10(5(2)8)6(3)9/h1-3H3
InChIKeyNTPKAGPQUFKEDF-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bromo(methyl)borinic acid
CID 91047548
N-dibromoboranyl-N-ethylethanamine
CID 5326279
azane;trimethylborane
CID 158329576
alumane;tribromoborane
CID 174464494
N-methyl-N-tribromosilylmethanamine
CID 140711228
6-bromo-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
CID 23148519
dibromoborinic acid
CID 151621452
1-(dimethylamino)-6-methoxyhexan-3-one
CID 114854223
N-(2-bromoethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 107488353
N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783
N-dimethylboranyl-N-ethylethanamine
CID 5326241
N-bromo-N-methylmethanamine;hydrobromide
CID 146445512

Frequently Asked Questions

What is the IUPAC name of [[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane?
The IUPAC name of [[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane (CID 13449760) is [[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane.
What is the SMILES notation for [[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane?
The canonical SMILES for [[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane is CB(Br)N(B(C)Br)B(C)Br.
What is the InChIKey of [[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane?
The InChIKey is NTPKAGPQUFKEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9B3Br3N/c1-4(7)10(5(2)8)6(3)9/h1-3H3.
What are the key properties of [[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane?
[[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane has a molecular weight of 331.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis[bromo(methyl)boranyl]amino]-bromoboranyl]methane is sourced from PubChem (CID 13449760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).