2-(bromomethyl)oxirane;N,N-dimethylmethanamine

C6H14BrNO — CID 87110477

IUPAC2-(bromomethyl)oxirane;N,N-dimethylmethanamine
SMILESBrCC1CO1.CN(C)C
InChIInChI=1S/C3H5BrO.C3H9N/c4-1-3-2-5-3;1-4(2)3/h3H,1-2H2;1-3H3
InChIKeyBWWBNVCDSLEWDK-UHFFFAOYSA-N
MW196.09 g/mol
LogP0.96
Rot. Bonds1

About 2-(bromomethyl)oxirane;N,N-dimethylmethanamine

2-(bromomethyl)oxirane;N,N-dimethylmethanamine (PubChem CID 87110477) has the molecular formula C6H14BrNO and a molecular weight of 196.09 g/mol. Its IUPAC name is 2-(bromomethyl)oxirane;N,N-dimethylmethanamine.

Molecular Properties

Compound Name2-(bromomethyl)oxirane;N,N-dimethylmethanamine
PubChem CID87110477
Molecular FormulaC6H14BrNO
Molecular Weight196.09 g/mol
Exact Mass195.03
IUPAC Name2-(bromomethyl)oxirane;N,N-dimethylmethanamine
SMILESBrCC1CO1.CN(C)C
InChIInChI=1S/C3H5BrO.C3H9N/c4-1-3-2-5-3;1-4(2)3/h3H,1-2H2;1-3H3
InChIKeyBWWBNVCDSLEWDK-UHFFFAOYSA-N
XLogP0.96
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)oxirane;N,N-diethylethanamine
CID 87110285
2-(bromomethyl)oxirane;N-methylmethanamine
CID 146308316

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)oxirane;N,N-dimethylmethanamine?
The IUPAC name of 2-(bromomethyl)oxirane;N,N-dimethylmethanamine (CID 87110477) is 2-(bromomethyl)oxirane;N,N-dimethylmethanamine.
What is the SMILES notation for 2-(bromomethyl)oxirane;N,N-dimethylmethanamine?
The canonical SMILES for 2-(bromomethyl)oxirane;N,N-dimethylmethanamine is BrCC1CO1.CN(C)C.
What is the InChIKey of 2-(bromomethyl)oxirane;N,N-dimethylmethanamine?
The InChIKey is BWWBNVCDSLEWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrO.C3H9N/c4-1-3-2-5-3;1-4(2)3/h3H,1-2H2;1-3H3.
What are the key properties of 2-(bromomethyl)oxirane;N,N-dimethylmethanamine?
2-(bromomethyl)oxirane;N,N-dimethylmethanamine has a molecular weight of 196.09 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)oxirane;N,N-dimethylmethanamine is sourced from PubChem (CID 87110477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).