cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate

C14H28N2O2 — CID 127541014

IUPACcyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate
SMILESCCN(CC)CCNC(=O)OCC1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-3-16(4-2)11-10-15-14(17)18-12-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H,15,17)
InChIKeyXLIZZLLTUJHONX-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds7

About cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate

cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate (PubChem CID 127541014) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate
PubChem CID127541014
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namecyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate
SMILESCCN(CC)CCNC(=O)OCC1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-3-16(4-2)11-10-15-14(17)18-12-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H,15,17)
InChIKeyXLIZZLLTUJHONX-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluorocyclohexyl)methyl N-ethylcarbamate
CID 167229449
Carbonic acid, monoamide, N-ethyl-, 2-ethylhexyl ester
CID 91699367
cyclohexylmethyl N-propan-2-ylcarbamate
CID 23548765
octyl N-(2-piperazin-1-ylethyl)carbamate
CID 54203670
(2-methylcyclohexyl) N-ethylcarbamate
CID 54670071
cyclohexylmethyl N-ethylcarbamate
CID 57102405
(3-Methylcyclohexyl) piperazine-1-carboxylate
CID 57248259
[(3S,5R)-3,5-dimethylcyclohexyl]methyl N-butylcarbamate
CID 59116235
Cyclohexylmethyl piperazine-1-carboxylate
CID 69141504
Cyclohexylmethyl piperazine-1-carboxylate;hydrochloride
CID 69144199
Cyclohexylmethyl 4-methylpiperazine-1-carboxylate
CID 71187962
Cyclopentylmethyl piperazine-1-carboxylate
CID 83821151

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate?
The IUPAC name of cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate (CID 127541014) is cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate.
What is the SMILES notation for cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate?
The canonical SMILES for cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate is CCN(CC)CCNC(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate?
The InChIKey is XLIZZLLTUJHONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-16(4-2)11-10-15-14(17)18-12-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H,15,17).
What are the key properties of cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate?
cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-[2-(diethylamino)ethyl]carbamate is sourced from PubChem (CID 127541014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).