N-bromo-N-ethylethanamine

C4H10BrN — CID 12636300

IUPACN-bromo-N-ethylethanamine
SMILESCCN(Br)CC
InChIInChI=1S/C4H10BrN/c1-3-6(5)4-2/h3-4H2,1-2H3
InChIKeyQVCQZMQFJMPZNT-UHFFFAOYSA-N
MW152.03 g/mol
LogP1.64
Rot. Bonds2

About N-bromo-N-ethylethanamine

N-bromo-N-ethylethanamine (PubChem CID 12636300) has the molecular formula C4H10BrN and a molecular weight of 152.03 g/mol. Its IUPAC name is N-bromo-N-ethylethanamine.

Molecular Properties

Compound NameN-bromo-N-ethylethanamine
PubChem CID12636300
Molecular FormulaC4H10BrN
Molecular Weight152.03 g/mol
Exact Mass151.00
IUPAC NameN-bromo-N-ethylethanamine
SMILESCCN(Br)CC
InChIInChI=1S/C4H10BrN/c1-3-6(5)4-2/h3-4H2,1-2H3
InChIKeyQVCQZMQFJMPZNT-UHFFFAOYSA-N
XLogP1.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.03
LogP ≤ 51.64
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-ethylethanamine?
The IUPAC name of N-bromo-N-ethylethanamine (CID 12636300) is N-bromo-N-ethylethanamine.
What is the SMILES notation for N-bromo-N-ethylethanamine?
The canonical SMILES for N-bromo-N-ethylethanamine is CCN(Br)CC.
What is the InChIKey of N-bromo-N-ethylethanamine?
The InChIKey is QVCQZMQFJMPZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrN/c1-3-6(5)4-2/h3-4H2,1-2H3.
What are the key properties of N-bromo-N-ethylethanamine?
N-bromo-N-ethylethanamine has a molecular weight of 152.03 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-ethylethanamine is sourced from PubChem (CID 12636300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).