N-cyclohexyl-N-methylcarbamoyl chloride

C8H14ClNO — CID 15209947

IUPACN-cyclohexyl-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C8H14ClNO/c1-10(8(9)11)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyBZWYKPFEWYJQJZ-UHFFFAOYSA-N
MW175.66 g/mol
LogP2.61
Rot. Bonds1

About N-cyclohexyl-N-methylcarbamoyl chloride

N-cyclohexyl-N-methylcarbamoyl chloride (PubChem CID 15209947) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is N-cyclohexyl-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-cyclohexyl-N-methylcarbamoyl chloride
PubChem CID15209947
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC NameN-cyclohexyl-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C8H14ClNO/c1-10(8(9)11)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyBZWYKPFEWYJQJZ-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-methylformamide
CID 10510948
Cyclohexylethylcarbamoyl chloride
CID 11332952
2,6-Dimethylpiperidine-1-carbonyl chloride
CID 19070661
2-Ethylpiperidine-1-carbonyl chloride
CID 79001866
rac-(2R,6S)-2,6-dimethylpiperidine-1-carbonyl chloride
CID 94968704
Dicyclohexylcarbamoyl chloride
CID 222909
N-cyclohexyl-N-methylcarbamoyl fluoride
CID 89000244
2-Methylpiperidine-1-carbonyl chloride
CID 17952004
N-cyclohexyl-N-propan-2-ylcarbamoyl chloride
CID 21185201
azane;N-cyclohexyl-N-methylcarbamoyl chloride
CID 21191345
N-cyclohexyl-bis-(chlorocarbonyl)-amine
CID 21400252
N-cycloheptyl-N-methylcarbamoyl chloride
CID 21404031

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methylcarbamoyl chloride?
The IUPAC name of N-cyclohexyl-N-methylcarbamoyl chloride (CID 15209947) is N-cyclohexyl-N-methylcarbamoyl chloride.
What is the SMILES notation for N-cyclohexyl-N-methylcarbamoyl chloride?
The canonical SMILES for N-cyclohexyl-N-methylcarbamoyl chloride is CN(C(=O)Cl)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methylcarbamoyl chloride?
The InChIKey is BZWYKPFEWYJQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-10(8(9)11)7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-N-methylcarbamoyl chloride?
N-cyclohexyl-N-methylcarbamoyl chloride has a molecular weight of 175.66 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylcarbamoyl chloride is sourced from PubChem (CID 15209947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).