(E)-2-bromo-N-methylbut-1-en-1-amine

C5H10BrN — CID 139541532

IUPAC(E)-2-bromo-N-methylbut-1-en-1-amine
SMILESCC/C(Br)=C\NC
InChIInChI=1S/C5H10BrN/c1-3-5(6)4-7-2/h4,7H,3H2,1-2H3/b5-4+
InChIKeyCRFUDLJRYRFIPG-SNAWJCMRSA-N
MW164.05 g/mol
LogP1.85
Rot. Bonds2

About (E)-2-bromo-N-methylbut-1-en-1-amine

(E)-2-bromo-N-methylbut-1-en-1-amine (PubChem CID 139541532) has the molecular formula C5H10BrN and a molecular weight of 164.05 g/mol. Its IUPAC name is (E)-2-bromo-N-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-bromo-N-methylbut-1-en-1-amine
PubChem CID139541532
Molecular FormulaC5H10BrN
Molecular Weight164.05 g/mol
Exact Mass163.00
IUPAC Name(E)-2-bromo-N-methylbut-1-en-1-amine
SMILESCC/C(Br)=C\NC
InChIInChI=1S/C5H10BrN/c1-3-5(6)4-7-2/h4,7H,3H2,1-2H3/b5-4+
InChIKeyCRFUDLJRYRFIPG-SNAWJCMRSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-N-methylbut-1-en-1-amine?
The IUPAC name of (E)-2-bromo-N-methylbut-1-en-1-amine (CID 139541532) is (E)-2-bromo-N-methylbut-1-en-1-amine.
What is the SMILES notation for (E)-2-bromo-N-methylbut-1-en-1-amine?
The canonical SMILES for (E)-2-bromo-N-methylbut-1-en-1-amine is CC/C(Br)=C\NC.
What is the InChIKey of (E)-2-bromo-N-methylbut-1-en-1-amine?
The InChIKey is CRFUDLJRYRFIPG-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H10BrN/c1-3-5(6)4-7-2/h4,7H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-2-bromo-N-methylbut-1-en-1-amine?
(E)-2-bromo-N-methylbut-1-en-1-amine has a molecular weight of 164.05 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-N-methylbut-1-en-1-amine is sourced from PubChem (CID 139541532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).