(E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine

C5H9BrN2 — CID 144501913

IUPAC(E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(Br)=C\NC
InChIInChI=1S/C5H9BrN2/c1-7-3-5(6)4-8-2/h3-4,7H,1-2H3/b5-3+,8-4+
InChIKeyFWZVRXVZYRYWJG-MSLMYCKWSA-N
MW177.04 g/mol
LogP1.14
Rot. Bonds2

About (E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine

(E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine (PubChem CID 144501913) has the molecular formula C5H9BrN2 and a molecular weight of 177.04 g/mol. Its IUPAC name is (E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine
PubChem CID144501913
Molecular FormulaC5H9BrN2
Molecular Weight177.04 g/mol
Exact Mass175.99
IUPAC Name(E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(Br)=C\NC
InChIInChI=1S/C5H9BrN2/c1-7-3-5(6)4-8-2/h3-4,7H,1-2H3/b5-3+,8-4+
InChIKeyFWZVRXVZYRYWJG-MSLMYCKWSA-N
XLogP1.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.04
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine (CID 144501913) is (E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine is C/N=C/C(Br)=C\NC.
What is the InChIKey of (E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine?
The InChIKey is FWZVRXVZYRYWJG-MSLMYCKWSA-N. The full InChI is InChI=1S/C5H9BrN2/c1-7-3-5(6)4-8-2/h3-4,7H,1-2H3/b5-3+,8-4+.
What are the key properties of (E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine?
(E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine has a molecular weight of 177.04 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 144501913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).