N-bromo-N-methylethanamine

C3H8BrN — CID 19746595

IUPACN-bromo-N-methylethanamine
SMILESCCN(C)Br
InChIInChI=1S/C3H8BrN/c1-3-5(2)4/h3H2,1-2H3
InChIKeyODOUTCGSMWTALM-UHFFFAOYSA-N
MW138.01 g/mol
LogP1.25
Rot. Bonds1

About N-bromo-N-methylethanamine

N-bromo-N-methylethanamine (PubChem CID 19746595) has the molecular formula C3H8BrN and a molecular weight of 138.01 g/mol. Its IUPAC name is N-bromo-N-methylethanamine.

Molecular Properties

Compound NameN-bromo-N-methylethanamine
PubChem CID19746595
Molecular FormulaC3H8BrN
Molecular Weight138.01 g/mol
Exact Mass136.98
IUPAC NameN-bromo-N-methylethanamine
SMILESCCN(C)Br
InChIInChI=1S/C3H8BrN/c1-3-5(2)4/h3H2,1-2H3
InChIKeyODOUTCGSMWTALM-UHFFFAOYSA-N
XLogP1.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.01
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bromo-N-methylethanamine?
The IUPAC name of N-bromo-N-methylethanamine (CID 19746595) is N-bromo-N-methylethanamine.
What is the SMILES notation for N-bromo-N-methylethanamine?
The canonical SMILES for N-bromo-N-methylethanamine is CCN(C)Br.
What is the InChIKey of N-bromo-N-methylethanamine?
The InChIKey is ODOUTCGSMWTALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8BrN/c1-3-5(2)4/h3H2,1-2H3.
What are the key properties of N-bromo-N-methylethanamine?
N-bromo-N-methylethanamine has a molecular weight of 138.01 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-methylethanamine is sourced from PubChem (CID 19746595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).