N-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride

C13H25ClN2O — CID 3025040

IUPACN-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC1C2CCC1CC2.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-3-15(4-2)9-12(16)14-13-10-5-6-11(13)8-7-10;/h10-11,13H,3-9H2,1-2H3,(H,14,16);1H
InChIKeyBHJRNWXNNVRSQI-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.05
Rot. Bonds5

About N-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride

N-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride (PubChem CID 3025040) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is N-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride
PubChem CID3025040
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC NameN-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC1C2CCC1CC2.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-3-15(4-2)9-12(16)14-13-10-5-6-11(13)8-7-10;/h10-11,13H,3-9H2,1-2H3,(H,14,16);1H
InChIKeyBHJRNWXNNVRSQI-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride?
The IUPAC name of N-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride (CID 3025040) is N-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride is CCN(CC)CC(=O)NC1C2CCC1CC2.Cl.
What is the InChIKey of N-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride?
The InChIKey is BHJRNWXNNVRSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-3-15(4-2)9-12(16)14-13-10-5-6-11(13)8-7-10;/h10-11,13H,3-9H2,1-2H3,(H,14,16);1H.
What are the key properties of N-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride?
N-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[2.2.1]heptanyl)-2-(diethylamino)acetamide;hydrochloride is sourced from PubChem (CID 3025040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).