N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride

C14H27ClN2O — CID 24832140

IUPACN-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC1CC2CCC1CC2.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-3-16(4-2)10-14(17)15-13-9-11-5-7-12(13)8-6-11;/h11-13H,3-10H2,1-2H3,(H,15,17);1H
InChIKeyCVHORXSZKOLECP-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.44
Rot. Bonds5

About N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride

N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride (PubChem CID 24832140) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride
PubChem CID24832140
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC NameN-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC1CC2CCC1CC2.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-3-16(4-2)10-14(17)15-13-9-11-5-7-12(13)8-6-11;/h11-13H,3-10H2,1-2H3,(H,15,17);1H
InChIKeyCVHORXSZKOLECP-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride (CID 24832140) is N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride is CCN(CC)CC(=O)NC1CC2CCC1CC2.Cl.
What is the InChIKey of N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride?
The InChIKey is CVHORXSZKOLECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-3-16(4-2)10-14(17)15-13-9-11-5-7-12(13)8-6-11;/h11-13H,3-10H2,1-2H3,(H,15,17);1H.
What are the key properties of N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride?
N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide;hydrochloride is sourced from PubChem (CID 24832140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).