cyclohexyl N,N-bis(chloromethyl)carbamate

C9H15Cl2NO2 — CID 162088515

IUPACcyclohexyl N,N-bis(chloromethyl)carbamate
SMILESO=C(OC1CCCCC1)N(CCl)CCl
InChIInChI=1S/C9H15Cl2NO2/c10-6-12(7-11)9(13)14-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyZDHCIYYEFALTOY-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.15
Rot. Bonds3

About cyclohexyl N,N-bis(chloromethyl)carbamate

cyclohexyl N,N-bis(chloromethyl)carbamate (PubChem CID 162088515) has the molecular formula C9H15Cl2NO2 and a molecular weight of 240.13 g/mol. Its IUPAC name is cyclohexyl N,N-bis(chloromethyl)carbamate.

Molecular Properties

Compound Namecyclohexyl N,N-bis(chloromethyl)carbamate
PubChem CID162088515
Molecular FormulaC9H15Cl2NO2
Molecular Weight240.13 g/mol
Exact Mass239.05
IUPAC Namecyclohexyl N,N-bis(chloromethyl)carbamate
SMILESO=C(OC1CCCCC1)N(CCl)CCl
InChIInChI=1S/C9H15Cl2NO2/c10-6-12(7-11)9(13)14-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyZDHCIYYEFALTOY-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl N,N-diethylcarbamate
CID 89379531
cycloheptyl hydrogen carbonate
CID 23179405
azane;cyclohexyl hydrogen carbonate
CID 67723937
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclohexyl carbonochloridate;methane
CID 157322505
cyclohexyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684400
cyclohexyl 2-aminoacetate;hydrochloride
CID 14180607
cyclohexyl hydrogen carbonate;iodomethane
CID 174434119
cyclooctyl carbonochloridate;ethane
CID 144532416
cycloheptadecyl acetate
CID 57215828
cyclohexyloxycarbonyl-λ2-stannane
CID 174853148

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N,N-bis(chloromethyl)carbamate?
The IUPAC name of cyclohexyl N,N-bis(chloromethyl)carbamate (CID 162088515) is cyclohexyl N,N-bis(chloromethyl)carbamate.
What is the SMILES notation for cyclohexyl N,N-bis(chloromethyl)carbamate?
The canonical SMILES for cyclohexyl N,N-bis(chloromethyl)carbamate is O=C(OC1CCCCC1)N(CCl)CCl.
What is the InChIKey of cyclohexyl N,N-bis(chloromethyl)carbamate?
The InChIKey is ZDHCIYYEFALTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO2/c10-6-12(7-11)9(13)14-8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of cyclohexyl N,N-bis(chloromethyl)carbamate?
cyclohexyl N,N-bis(chloromethyl)carbamate has a molecular weight of 240.13 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N,N-bis(chloromethyl)carbamate is sourced from PubChem (CID 162088515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).