2-bromo-N-ethylprop-2-en-1-amine

C5H10BrN — CID 13372

IUPAC2-bromo-N-ethylprop-2-en-1-amine
SMILESC=C(Br)CNCC
InChIInChI=1S/C5H10BrN/c1-3-7-4-5(2)6/h7H,2-4H2,1H3
InChIKeyIQWLHTYWDALEGG-UHFFFAOYSA-N
MW164.05 g/mol
LogP1.50
Rot. Bonds3

About 2-bromo-N-ethylprop-2-en-1-amine

2-bromo-N-ethylprop-2-en-1-amine (PubChem CID 13372) has the molecular formula C5H10BrN and a molecular weight of 164.05 g/mol. Its IUPAC name is 2-bromo-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-ethylprop-2-en-1-amine
PubChem CID13372
Molecular FormulaC5H10BrN
Molecular Weight164.05 g/mol
Exact Mass163.00
IUPAC Name2-bromo-N-ethylprop-2-en-1-amine
SMILESC=C(Br)CNCC
InChIInChI=1S/C5H10BrN/c1-3-7-4-5(2)6/h7H,2-4H2,1H3
InChIKeyIQWLHTYWDALEGG-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-bromo-N-ethylprop-2-en-1-amine (CID 13372) is 2-bromo-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-ethylprop-2-en-1-amine is C=C(Br)CNCC.
What is the InChIKey of 2-bromo-N-ethylprop-2-en-1-amine?
The InChIKey is IQWLHTYWDALEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrN/c1-3-7-4-5(2)6/h7H,2-4H2,1H3.
What are the key properties of 2-bromo-N-ethylprop-2-en-1-amine?
2-bromo-N-ethylprop-2-en-1-amine has a molecular weight of 164.05 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 13372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).