N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride

C13H25ClN2O — CID 2968771

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride
SMILESCC(NC(=O)CN(C)C)C1CC2CCC1C2.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-9(14-13(16)8-15(2)3)12-7-10-4-5-11(12)6-10;/h9-12H,4-8H2,1-3H3,(H,14,16);1H
InChIKeyGIXZCUJGYWPMSJ-UHFFFAOYSA-N
MW260.81 g/mol
LogP1.91
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride (PubChem CID 2968771) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride
PubChem CID2968771
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride
SMILESCC(NC(=O)CN(C)C)C1CC2CCC1C2.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-9(14-13(16)8-15(2)3)12-7-10-4-5-11(12)6-10;/h9-12H,4-8H2,1-3H3,(H,14,16);1H
InChIKeyGIXZCUJGYWPMSJ-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride (CID 2968771) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride is CC(NC(=O)CN(C)C)C1CC2CCC1C2.Cl.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride?
The InChIKey is GIXZCUJGYWPMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-9(14-13(16)8-15(2)3)12-7-10-4-5-11(12)6-10;/h9-12H,4-8H2,1-3H3,(H,14,16);1H.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(dimethylamino)acetamide;hydrochloride is sourced from PubChem (CID 2968771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).