cyclohexylmethyl N-ethylcarbamate

C10H19NO2 — CID 57102405

IUPACcyclohexylmethyl N-ethylcarbamate
SMILESCCNC(=O)OCC1CCCCC1
InChIInChI=1S/C10H19NO2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyQKMLKNOHWDLVEC-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.31
Rot. Bonds3

About cyclohexylmethyl N-ethylcarbamate

cyclohexylmethyl N-ethylcarbamate (PubChem CID 57102405) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is cyclohexylmethyl N-ethylcarbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-ethylcarbamate
PubChem CID57102405
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namecyclohexylmethyl N-ethylcarbamate
SMILESCCNC(=O)OCC1CCCCC1
InChIInChI=1S/C10H19NO2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyQKMLKNOHWDLVEC-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-ethylcarbamate?
The IUPAC name of cyclohexylmethyl N-ethylcarbamate (CID 57102405) is cyclohexylmethyl N-ethylcarbamate.
What is the SMILES notation for cyclohexylmethyl N-ethylcarbamate?
The canonical SMILES for cyclohexylmethyl N-ethylcarbamate is CCNC(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N-ethylcarbamate?
The InChIKey is QKMLKNOHWDLVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of cyclohexylmethyl N-ethylcarbamate?
cyclohexylmethyl N-ethylcarbamate has a molecular weight of 185.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-ethylcarbamate is sourced from PubChem (CID 57102405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).