N-dibromoboranyl-N-ethylethanamine

C4H10BBr2N — CID 5326279

IUPACN-dibromoboranyl-N-ethylethanamine
SMILESCCN(CC)B(Br)Br
InChIInChI=1S/C4H10BBr2N/c1-3-8(4-2)5(6)7/h3-4H2,1-2H3
InChIKeyDEDIEQUDDYJCFW-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.10
Rot. Bonds3

About N-dibromoboranyl-N-ethylethanamine

N-dibromoboranyl-N-ethylethanamine (PubChem CID 5326279) has the molecular formula C4H10BBr2N and a molecular weight of 242.75 g/mol. Its IUPAC name is N-dibromoboranyl-N-ethylethanamine.

Molecular Properties

Compound NameN-dibromoboranyl-N-ethylethanamine
PubChem CID5326279
Molecular FormulaC4H10BBr2N
Molecular Weight242.75 g/mol
Exact Mass240.93
IUPAC NameN-dibromoboranyl-N-ethylethanamine
SMILESCCN(CC)B(Br)Br
InChIInChI=1S/C4H10BBr2N/c1-3-8(4-2)5(6)7/h3-4H2,1-2H3
InChIKeyDEDIEQUDDYJCFW-UHFFFAOYSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.10
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

N-dimethylboranyl-N-ethylethanamine
CID 5326241
N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine
CID 15361367
N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine
CID 121010924
N-bromo-N-ethylethanamine
CID 12636300
N,N-diethylethanamine;λ2-stannane;dihydrochloride
CID 175189079
alumane;N,N-diethylethanamine;hydrochloride
CID 173388642
N,N-diethylethanamine;zinc;dihydrochloride
CID 175296051
fluoroethane;trihydrochloride
CID 172790972
N,N-diethylethanamine;ethane
CID 22114990
CID 159806159
CID 159806159
N,N-bis(dimethylsilyl)ethanamine
CID 101161157
N,N-diethylethanamine;bis(trifluoroborane)
CID 161426908

Frequently Asked Questions

What is the IUPAC name of N-dibromoboranyl-N-ethylethanamine?
The IUPAC name of N-dibromoboranyl-N-ethylethanamine (CID 5326279) is N-dibromoboranyl-N-ethylethanamine.
What is the SMILES notation for N-dibromoboranyl-N-ethylethanamine?
The canonical SMILES for N-dibromoboranyl-N-ethylethanamine is CCN(CC)B(Br)Br.
What is the InChIKey of N-dibromoboranyl-N-ethylethanamine?
The InChIKey is DEDIEQUDDYJCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BBr2N/c1-3-8(4-2)5(6)7/h3-4H2,1-2H3.
What are the key properties of N-dibromoboranyl-N-ethylethanamine?
N-dibromoboranyl-N-ethylethanamine has a molecular weight of 242.75 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibromoboranyl-N-ethylethanamine is sourced from PubChem (CID 5326279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).