cyclohexyl N-ethylcarbamate

C9H17NO2 — CID 22978796

IUPACcyclohexyl N-ethylcarbamate
SMILESCCNC(=O)OC1CCCCC1
InChIInChI=1S/C9H17NO2/c1-2-10-9(11)12-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyUQRBBLPNBOUERA-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.07
Rot. Bonds2

About cyclohexyl N-ethylcarbamate

cyclohexyl N-ethylcarbamate (PubChem CID 22978796) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is cyclohexyl N-ethylcarbamate.

Molecular Properties

Compound Namecyclohexyl N-ethylcarbamate
PubChem CID22978796
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namecyclohexyl N-ethylcarbamate
SMILESCCNC(=O)OC1CCCCC1
InChIInChI=1S/C9H17NO2/c1-2-10-9(11)12-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyUQRBBLPNBOUERA-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl N-ethylcarbamate
CID 54482890
cyclohexyl N-(2-methylpropyl)carbamate
CID 123419142
azetidin-3-yl N-ethylcarbamate
CID 79338252
cyclopentyl N-(2,2-dimethylpropyl)carbamate
CID 149292463
cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate
CID 70312043
cyclohexyl N-cyclopentylcarbamate
CID 127539095
cyclopentyl N-methylcarbamate
CID 23548767
cyclohexyl N-(methylamino)carbamate
CID 143392202
cyclododecyl N-cyclobutylcarbamate
CID 135210614
bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid
CID 173459255
dicyclononyl carbonate
CID 139618210
cyclopentyl N-(3-propylsulfanylpropyl)carbamate
CID 141077176

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-ethylcarbamate?
The IUPAC name of cyclohexyl N-ethylcarbamate (CID 22978796) is cyclohexyl N-ethylcarbamate.
What is the SMILES notation for cyclohexyl N-ethylcarbamate?
The canonical SMILES for cyclohexyl N-ethylcarbamate is CCNC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-ethylcarbamate?
The InChIKey is UQRBBLPNBOUERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-10-9(11)12-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of cyclohexyl N-ethylcarbamate?
cyclohexyl N-ethylcarbamate has a molecular weight of 171.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-ethylcarbamate is sourced from PubChem (CID 22978796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).