N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride

C9H17ClN2 — CID 14901392

IUPACN'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride
SMILESCN(C)/C(Cl)=N/C1CCCCC1
InChIInChI=1S/C9H17ClN2/c1-12(2)9(10)11-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3/b11-9+
InChIKeyHWMPSLBRCIZUPZ-PKNBQFBNSA-N
MW188.70 g/mol
LogP2.48
Rot. Bonds1

About N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride

N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride (PubChem CID 14901392) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride.

Molecular Properties

Compound NameN'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride
PubChem CID14901392
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC NameN'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride
SMILESCN(C)/C(Cl)=N/C1CCCCC1
InChIInChI=1S/C9H17ClN2/c1-12(2)9(10)11-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3/b11-9+
InChIKeyHWMPSLBRCIZUPZ-PKNBQFBNSA-N
XLogP2.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.48
H-Bond Donors ≤ 50
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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Related Compounds

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N'-Cyclohexyl-N,N-dimethyl-acetamidine
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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride?
The IUPAC name of N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride (CID 14901392) is N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride.
What is the SMILES notation for N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride?
The canonical SMILES for N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride is CN(C)/C(Cl)=N/C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride?
The InChIKey is HWMPSLBRCIZUPZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H17ClN2/c1-12(2)9(10)11-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3/b11-9+.
What are the key properties of N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride?
N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride has a molecular weight of 188.70 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride is sourced from PubChem (CID 14901392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).