bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide

C8H21Br3N2O2 — CID 173055527

IUPACbis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
SMILESBr.Br.CC(=O)N(C)C.CC(=O)N(C)C.[Br-].[H+]
InChIInChI=1S/2C4H9NO.3BrH/c2*1-4(6)5(2)3;;;/h2*1-3H3;3*1H
InChIKeyLHRBMSIYVXBLPR-UHFFFAOYSA-N
MW416.98 g/mol
LogP-1.54
Rot. Bonds

About bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide

bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide (PubChem CID 173055527) has the molecular formula C8H21Br3N2O2 and a molecular weight of 416.98 g/mol. Its IUPAC name is bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide.

Molecular Properties

Compound Namebis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
PubChem CID173055527
Molecular FormulaC8H21Br3N2O2
Molecular Weight416.98 g/mol
Exact Mass413.92
IUPAC Namebis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
SMILESBr.Br.CC(=O)N(C)C.CC(=O)N(C)C.[Br-].[H+]
InChIInChI=1S/2C4H9NO.3BrH/c2*1-4(6)5(2)3;;;/h2*1-3H3;3*1H
InChIKeyLHRBMSIYVXBLPR-UHFFFAOYSA-N
XLogP-1.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.98
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide?
The IUPAC name of bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide (CID 173055527) is bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide.
What is the SMILES notation for bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide?
The canonical SMILES for bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide is Br.Br.CC(=O)N(C)C.CC(=O)N(C)C.[Br-].[H+].
What is the InChIKey of bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide?
The InChIKey is LHRBMSIYVXBLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO.3BrH/c2*1-4(6)5(2)3;;;/h2*1-3H3;3*1H.
What are the key properties of bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide?
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide has a molecular weight of 416.98 g/mol, XLogP of -1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide is sourced from PubChem (CID 173055527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).