N,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide

C5H10BrNO2 — CID 173442274

IUPACN,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide
SMILESBr.CN(C)C12OC1(C)O2
InChIInChI=1S/C5H9NO2.BrH/c1-4-5(7-4,8-4)6(2)3;/h1-3H3;1H
InChIKeyYQOOBIGADDHWOO-UHFFFAOYSA-N
MW196.04 g/mol
LogP0.56
Rot. Bonds1

About N,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide

N,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide (PubChem CID 173442274) has the molecular formula C5H10BrNO2 and a molecular weight of 196.04 g/mol. Its IUPAC name is N,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide.

Molecular Properties

Compound NameN,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide
PubChem CID173442274
Molecular FormulaC5H10BrNO2
Molecular Weight196.04 g/mol
Exact Mass194.99
IUPAC NameN,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide
SMILESBr.CN(C)C12OC1(C)O2
InChIInChI=1S/C5H9NO2.BrH/c1-4-5(7-4,8-4)6(2)3;/h1-3H3;1H
InChIKeyYQOOBIGADDHWOO-UHFFFAOYSA-N
XLogP0.56
TPSA28.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.04
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2,4-dioxabicyclo[1.1.0]butan-1-ol
CID 173021166
[(2S)-2,3,3-trimethyloxiran-2-yl]methanol
CID 45120381
2-N,2-N,2-N',2-N'-tetramethyl-1,3-dioxolane-2,2-diamine
CID 151256492
3,3-dimethyloxiran-2-imine
CID 139834358
N,N,2,4,4,5-hexamethyl-1,3-dioxolan-2-amine
CID 174286267
2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9-pentaoxecane
CID 160795972
4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine
CID 175706695
1-methyl-3-(trichloromethyl)-2,4-dioxabicyclo[1.1.0]butane
CID 175127301
carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium
CID 10892893
2,2,3-trifluoro-3-methyloxirane
CID 22289961
(2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane
CID 98515393
1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol
CID 15051539

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide?
The IUPAC name of N,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide (CID 173442274) is N,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide.
What is the SMILES notation for N,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide?
The canonical SMILES for N,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide is Br.CN(C)C12OC1(C)O2.
What is the InChIKey of N,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide?
The InChIKey is YQOOBIGADDHWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.BrH/c1-4-5(7-4,8-4)6(2)3;/h1-3H3;1H.
What are the key properties of N,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide?
N,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide has a molecular weight of 196.04 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2,4-dioxabicyclo[1.1.0]butan-1-amine;hydrobromide is sourced from PubChem (CID 173442274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).