(E)-3-bromo-N,N-dimethylprop-2-en-1-amine

C5H10BrN — CID 23271071

IUPAC(E)-3-bromo-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C/C=C/Br
InChIInChI=1S/C5H10BrN/c1-7(2)5-3-4-6/h3-4H,5H2,1-2H3/b4-3+
InChIKeyIQUZWVSCEFCUJB-ONEGZZNKSA-N
MW164.05 g/mol
LogP1.46
Rot. Bonds2

About (E)-3-bromo-N,N-dimethylprop-2-en-1-amine

(E)-3-bromo-N,N-dimethylprop-2-en-1-amine (PubChem CID 23271071) has the molecular formula C5H10BrN and a molecular weight of 164.05 g/mol. Its IUPAC name is (E)-3-bromo-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-bromo-N,N-dimethylprop-2-en-1-amine
PubChem CID23271071
Molecular FormulaC5H10BrN
Molecular Weight164.05 g/mol
Exact Mass163.00
IUPAC Name(E)-3-bromo-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C/C=C/Br
InChIInChI=1S/C5H10BrN/c1-7(2)5-3-4-6/h3-4H,5H2,1-2H3/b4-3+
InChIKeyIQUZWVSCEFCUJB-ONEGZZNKSA-N
XLogP1.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-bromo-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of (E)-3-bromo-N,N-dimethylprop-2-en-1-amine (CID 23271071) is (E)-3-bromo-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-bromo-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for (E)-3-bromo-N,N-dimethylprop-2-en-1-amine is CN(C)C/C=C/Br.
What is the InChIKey of (E)-3-bromo-N,N-dimethylprop-2-en-1-amine?
The InChIKey is IQUZWVSCEFCUJB-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H10BrN/c1-7(2)5-3-4-6/h3-4H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-3-bromo-N,N-dimethylprop-2-en-1-amine?
(E)-3-bromo-N,N-dimethylprop-2-en-1-amine has a molecular weight of 164.05 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-bromo-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 23271071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).