N-cyclohexyl-N-(methylamino)carbamoyl chloride

C8H15ClN2O — CID 59986884

IUPACN-cyclohexyl-N-(methylamino)carbamoyl chloride
SMILESCNN(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C8H15ClN2O/c1-10-11(8(9)12)7-5-3-2-4-6-7/h7,10H,2-6H2,1H3
InChIKeyVXVUMSPQUIUUMC-UHFFFAOYSA-N
MW190.67 g/mol
LogP2.11
Rot. Bonds2

About N-cyclohexyl-N-(methylamino)carbamoyl chloride

N-cyclohexyl-N-(methylamino)carbamoyl chloride (PubChem CID 59986884) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is N-cyclohexyl-N-(methylamino)carbamoyl chloride.

Molecular Properties

Compound NameN-cyclohexyl-N-(methylamino)carbamoyl chloride
PubChem CID59986884
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC NameN-cyclohexyl-N-(methylamino)carbamoyl chloride
SMILESCNN(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C8H15ClN2O/c1-10-11(8(9)12)7-5-3-2-4-6-7/h7,10H,2-6H2,1H3
InChIKeyVXVUMSPQUIUUMC-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 52.11
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N-ethylcarbamoyl chloride
CID 15335411
carbonochloridoyl(cyclohexyl)carbamic acid
CID 88834306
N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride
CID 140977814
N,N-dicyclohexyl-2-(methylamino)propanamide
CID 62639646
[(2-bromo-2-methylpropanoyl)-cyclooctylamino]carbamic acid
CID 67330262
N-cyclohexyl-N-nitrosoacetamide
CID 13464904
[carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid
CID 151845320
2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid
CID 70554590
N-cyclononyl-N-hydroxyacetamide
CID 135197506
N-cycloheptyl-N-methyl-2-(methylamino)propanamide
CID 62637285
N-cyclohexyl-N-[cyclohexyl-[2-(methylamino)acetyl]carbamoyl]-2-(methylamino)acetamide
CID 169227068
1-cyclooctyl-1-methylurea
CID 126989312

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(methylamino)carbamoyl chloride?
The IUPAC name of N-cyclohexyl-N-(methylamino)carbamoyl chloride (CID 59986884) is N-cyclohexyl-N-(methylamino)carbamoyl chloride.
What is the SMILES notation for N-cyclohexyl-N-(methylamino)carbamoyl chloride?
The canonical SMILES for N-cyclohexyl-N-(methylamino)carbamoyl chloride is CNN(C(=O)Cl)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(methylamino)carbamoyl chloride?
The InChIKey is VXVUMSPQUIUUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O/c1-10-11(8(9)12)7-5-3-2-4-6-7/h7,10H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-N-(methylamino)carbamoyl chloride?
N-cyclohexyl-N-(methylamino)carbamoyl chloride has a molecular weight of 190.67 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(methylamino)carbamoyl chloride is sourced from PubChem (CID 59986884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).