2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride

C13H27ClN2O2 — CID 24837030

IUPAC2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride
SMILESCCN(CC)CCOC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-3-15(4-2)10-11-17-13(16)14-12-8-6-5-7-9-12;/h12H,3-11H2,1-2H3,(H,14,16);1H
InChIKeyWKFCHQWJBHPFBE-UHFFFAOYSA-N
MW278.82 g/mol
LogP2.81
Rot. Bonds6

About 2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride

2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride (PubChem CID 24837030) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride
PubChem CID24837030
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride
SMILESCCN(CC)CCOC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-3-15(4-2)10-11-17-13(16)14-12-8-6-5-7-9-12;/h12H,3-11H2,1-2H3,(H,14,16);1H
InChIKeyWKFCHQWJBHPFBE-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride (CID 24837030) is 2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride is CCN(CC)CCOC(=O)NC1CCCCC1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride?
The InChIKey is WKFCHQWJBHPFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-3-15(4-2)10-11-17-13(16)14-12-8-6-5-7-9-12;/h12H,3-11H2,1-2H3,(H,14,16);1H.
What are the key properties of 2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride?
2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl N-cyclohexylcarbamate;hydrochloride is sourced from PubChem (CID 24837030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).