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

C12H23ClN2O — CID 119735957

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCCC1CC2CCC1C2.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-13-8-12(15)14-5-4-11-7-9-2-3-10(11)6-9;/h9-11,13H,2-8H2,1H3,(H,14,15);1H
InChIKeyHRWCVSWJBAOMDD-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.57
Rot. Bonds5

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

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119735957) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119735957
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCCC1CC2CCC1C2.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-13-8-12(15)14-5-4-11-7-9-2-3-10(11)6-9;/h9-11,13H,2-8H2,1H3,(H,14,15);1H
InChIKeyHRWCVSWJBAOMDD-UHFFFAOYSA-N
XLogP1.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide
CID 71938759
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-hydroxybutyl)urea
CID 111337233
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 71941249
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454649
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937227
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78843390
2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]acetamide;hydrochloride
CID 119783122
4-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N,N-diethylbutanamide
CID 78892210
methyl 3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 11367388

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride (CID 119735957) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCCC1CC2CCC1C2.Cl.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is HRWCVSWJBAOMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-13-8-12(15)14-5-4-11-7-9-2-3-10(11)6-9;/h9-11,13H,2-8H2,1H3,(H,14,15);1H.
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119735957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).