(E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine

C4H9BrClN3 — CID 146393153

IUPAC(E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine
SMILESCN/C(Br)=C\C(Cl)NN
InChIInChI=1S/C4H9BrClN3/c1-8-3(5)2-4(6)9-7/h2,4,8-9H,7H2,1H3/b3-2-
InChIKeyWSOKSKGVBNHZCH-IHWYPQMZSA-N
MW214.49 g/mol
LogP0.47
Rot. Bonds3

About (E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine

(E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine (PubChem CID 146393153) has the molecular formula C4H9BrClN3 and a molecular weight of 214.49 g/mol. Its IUPAC name is (E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine
PubChem CID146393153
Molecular FormulaC4H9BrClN3
Molecular Weight214.49 g/mol
Exact Mass212.97
IUPAC Name(E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine
SMILESCN/C(Br)=C\C(Cl)NN
InChIInChI=1S/C4H9BrClN3/c1-8-3(5)2-4(6)9-7/h2,4,8-9H,7H2,1H3/b3-2-
InChIKeyWSOKSKGVBNHZCH-IHWYPQMZSA-N
XLogP0.47
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.49
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine?
The IUPAC name of (E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine (CID 146393153) is (E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine.
What is the SMILES notation for (E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine?
The canonical SMILES for (E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine is CN/C(Br)=C\C(Cl)NN.
What is the InChIKey of (E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine?
The InChIKey is WSOKSKGVBNHZCH-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H9BrClN3/c1-8-3(5)2-4(6)9-7/h2,4,8-9H,7H2,1H3/b3-2-.
What are the key properties of (E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine?
(E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine has a molecular weight of 214.49 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine is sourced from PubChem (CID 146393153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).