N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride

C6H11Cl2N3 — CID 163539624

IUPACN-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride
SMILESC/N=C(\Cl)N/C(Cl)=N/C(C)C
InChIInChI=1S/C6H11Cl2N3/c1-4(2)10-6(8)11-5(7)9-3/h4H,1-3H3,(H,9,10,11)
InChIKeyDZZWCNFALLLVTJ-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.80
Rot. Bonds1

About N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride

N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride (PubChem CID 163539624) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride.

Molecular Properties

Compound NameN-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride
PubChem CID163539624
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC NameN-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride
SMILESC/N=C(\Cl)N/C(Cl)=N/C(C)C
InChIInChI=1S/C6H11Cl2N3/c1-4(2)10-6(8)11-5(7)9-3/h4H,1-3H3,(H,9,10,11)
InChIKeyDZZWCNFALLLVTJ-UHFFFAOYSA-N
XLogP1.80
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride 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 N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride?
The IUPAC name of N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride (CID 163539624) is N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride.
What is the SMILES notation for N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride?
The canonical SMILES for N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride is C/N=C(\Cl)N/C(Cl)=N/C(C)C.
What is the InChIKey of N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride?
The InChIKey is DZZWCNFALLLVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2N3/c1-4(2)10-6(8)11-5(7)9-3/h4H,1-3H3,(H,9,10,11).
What are the key properties of N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride?
N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride has a molecular weight of 196.08 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C-chloro-N-methylcarbonimidoyl)-N'-propan-2-ylcarbamimidoyl chloride is sourced from PubChem (CID 163539624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).