1-(chloromethyl)-1,2-dimethylhydrazine

C3H9ClN2 — CID 152614480

IUPAC1-(chloromethyl)-1,2-dimethylhydrazine
SMILESCNN(C)CCl
InChIInChI=1S/C3H9ClN2/c1-5-6(2)3-4/h5H,3H2,1-2H3
InChIKeyZAFHDCRWPIHTJY-UHFFFAOYSA-N
MW108.57 g/mol
LogP0.25
Rot. Bonds2

About 1-(chloromethyl)-1,2-dimethylhydrazine

1-(chloromethyl)-1,2-dimethylhydrazine (PubChem CID 152614480) has the molecular formula C3H9ClN2 and a molecular weight of 108.57 g/mol. Its IUPAC name is 1-(chloromethyl)-1,2-dimethylhydrazine.

Molecular Properties

Compound Name1-(chloromethyl)-1,2-dimethylhydrazine
PubChem CID152614480
Molecular FormulaC3H9ClN2
Molecular Weight108.57 g/mol
Exact Mass108.05
IUPAC Name1-(chloromethyl)-1,2-dimethylhydrazine
SMILESCNN(C)CCl
InChIInChI=1S/C3H9ClN2/c1-5-6(2)3-4/h5H,3H2,1-2H3
InChIKeyZAFHDCRWPIHTJY-UHFFFAOYSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.57
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1,2-dimethylhydrazine?
The IUPAC name of 1-(chloromethyl)-1,2-dimethylhydrazine (CID 152614480) is 1-(chloromethyl)-1,2-dimethylhydrazine.
What is the SMILES notation for 1-(chloromethyl)-1,2-dimethylhydrazine?
The canonical SMILES for 1-(chloromethyl)-1,2-dimethylhydrazine is CNN(C)CCl.
What is the InChIKey of 1-(chloromethyl)-1,2-dimethylhydrazine?
The InChIKey is ZAFHDCRWPIHTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9ClN2/c1-5-6(2)3-4/h5H,3H2,1-2H3.
What are the key properties of 1-(chloromethyl)-1,2-dimethylhydrazine?
1-(chloromethyl)-1,2-dimethylhydrazine has a molecular weight of 108.57 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1,2-dimethylhydrazine is sourced from PubChem (CID 152614480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).