azane;N-cyclohexyl-N-methylcarbamoyl chloride

C8H17ClN2O — CID 21191345

IUPACazane;N-cyclohexyl-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CCCCC1.N
InChIInChI=1S/C8H14ClNO.H3N/c1-10(8(9)11)7-5-3-2-4-6-7;/h7H,2-6H2,1H3;1H3
InChIKeyVIBHGBIKXVJRQA-UHFFFAOYSA-N
MW192.69 g/mol
LogP2.77
Rot. Bonds1

About azane;N-cyclohexyl-N-methylcarbamoyl chloride

azane;N-cyclohexyl-N-methylcarbamoyl chloride (PubChem CID 21191345) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is azane;N-cyclohexyl-N-methylcarbamoyl chloride.

Molecular Properties

Compound Nameazane;N-cyclohexyl-N-methylcarbamoyl chloride
PubChem CID21191345
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Nameazane;N-cyclohexyl-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CCCCC1.N
InChIInChI=1S/C8H14ClNO.H3N/c1-10(8(9)11)7-5-3-2-4-6-7;/h7H,2-6H2,1H3;1H3
InChIKeyVIBHGBIKXVJRQA-UHFFFAOYSA-N
XLogP2.77
TPSA55.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;N-cyclohexyl-N-methylcarbamoyl chloride?
The IUPAC name of azane;N-cyclohexyl-N-methylcarbamoyl chloride (CID 21191345) is azane;N-cyclohexyl-N-methylcarbamoyl chloride.
What is the SMILES notation for azane;N-cyclohexyl-N-methylcarbamoyl chloride?
The canonical SMILES for azane;N-cyclohexyl-N-methylcarbamoyl chloride is CN(C(=O)Cl)C1CCCCC1.N.
What is the InChIKey of azane;N-cyclohexyl-N-methylcarbamoyl chloride?
The InChIKey is VIBHGBIKXVJRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO.H3N/c1-10(8(9)11)7-5-3-2-4-6-7;/h7H,2-6H2,1H3;1H3.
What are the key properties of azane;N-cyclohexyl-N-methylcarbamoyl chloride?
azane;N-cyclohexyl-N-methylcarbamoyl chloride has a molecular weight of 192.69 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-cyclohexyl-N-methylcarbamoyl chloride is sourced from PubChem (CID 21191345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).