chloromethyl N-cyclohexyl-N-ethylcarbamate

C10H18ClNO2 — CID 66648792

IUPACchloromethyl N-cyclohexyl-N-ethylcarbamate
SMILESCCN(C(=O)OCCl)C1CCCCC1
InChIInChI=1S/C10H18ClNO2/c1-2-12(10(13)14-8-11)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyAVNHPTHITHNPPB-UHFFFAOYSA-N
MW219.71 g/mol
LogP2.97
Rot. Bonds3

About chloromethyl N-cyclohexyl-N-ethylcarbamate

chloromethyl N-cyclohexyl-N-ethylcarbamate (PubChem CID 66648792) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is chloromethyl N-cyclohexyl-N-ethylcarbamate.

Molecular Properties

Compound Namechloromethyl N-cyclohexyl-N-ethylcarbamate
PubChem CID66648792
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Namechloromethyl N-cyclohexyl-N-ethylcarbamate
SMILESCCN(C(=O)OCCl)C1CCCCC1
InChIInChI=1S/C10H18ClNO2/c1-2-12(10(13)14-8-11)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyAVNHPTHITHNPPB-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethyl N-cyclohexyl-N-ethylcarbamate?
The IUPAC name of chloromethyl N-cyclohexyl-N-ethylcarbamate (CID 66648792) is chloromethyl N-cyclohexyl-N-ethylcarbamate.
What is the SMILES notation for chloromethyl N-cyclohexyl-N-ethylcarbamate?
The canonical SMILES for chloromethyl N-cyclohexyl-N-ethylcarbamate is CCN(C(=O)OCCl)C1CCCCC1.
What is the InChIKey of chloromethyl N-cyclohexyl-N-ethylcarbamate?
The InChIKey is AVNHPTHITHNPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-2-12(10(13)14-8-11)9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of chloromethyl N-cyclohexyl-N-ethylcarbamate?
chloromethyl N-cyclohexyl-N-ethylcarbamate has a molecular weight of 219.71 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl N-cyclohexyl-N-ethylcarbamate is sourced from PubChem (CID 66648792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).