N,N'-dimethylcarbamimidoyl chloride;hydrochloride

C3H8Cl2N2 — CID 14852963

IUPACN,N'-dimethylcarbamimidoyl chloride;hydrochloride
SMILESC/N=C(\Cl)NC.Cl
InChIInChI=1S/C3H7ClN2.ClH/c1-5-3(4)6-2;/h1-2H3,(H,5,6);1H
InChIKeyZFXBXJHACPUSGI-UHFFFAOYSA-N
MW143.02 g/mol
LogP0.85
Rot. Bonds

About N,N'-dimethylcarbamimidoyl chloride;hydrochloride

N,N'-dimethylcarbamimidoyl chloride;hydrochloride (PubChem CID 14852963) has the molecular formula C3H8Cl2N2 and a molecular weight of 143.02 g/mol. Its IUPAC name is N,N'-dimethylcarbamimidoyl chloride;hydrochloride.

Molecular Properties

Compound NameN,N'-dimethylcarbamimidoyl chloride;hydrochloride
PubChem CID14852963
Molecular FormulaC3H8Cl2N2
Molecular Weight143.02 g/mol
Exact Mass142.01
IUPAC NameN,N'-dimethylcarbamimidoyl chloride;hydrochloride
SMILESC/N=C(\Cl)NC.Cl
InChIInChI=1S/C3H7ClN2.ClH/c1-5-3(4)6-2;/h1-2H3,(H,5,6);1H
InChIKeyZFXBXJHACPUSGI-UHFFFAOYSA-N
XLogP0.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.02
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylcarbamimidoyl chloride;hydrochloride?
The IUPAC name of N,N'-dimethylcarbamimidoyl chloride;hydrochloride (CID 14852963) is N,N'-dimethylcarbamimidoyl chloride;hydrochloride.
What is the SMILES notation for N,N'-dimethylcarbamimidoyl chloride;hydrochloride?
The canonical SMILES for N,N'-dimethylcarbamimidoyl chloride;hydrochloride is C/N=C(\Cl)NC.Cl.
What is the InChIKey of N,N'-dimethylcarbamimidoyl chloride;hydrochloride?
The InChIKey is ZFXBXJHACPUSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClN2.ClH/c1-5-3(4)6-2;/h1-2H3,(H,5,6);1H.
What are the key properties of N,N'-dimethylcarbamimidoyl chloride;hydrochloride?
N,N'-dimethylcarbamimidoyl chloride;hydrochloride has a molecular weight of 143.02 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylcarbamimidoyl chloride;hydrochloride is sourced from PubChem (CID 14852963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).