N-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride

C13H23ClN2O — CID 134821643

IUPACN-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC1C[C@@H]2C=C[C@H]1C2.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-3-15(4-2)9-13(16)14-12-8-10-5-6-11(12)7-10;/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,14,16);1H/t10-,11+,12?;/m1./s1
InChIKeyKIGJAUXSQIEGAA-WCGHQRNMSA-N
MW258.79 g/mol
LogP1.83
Rot. Bonds5

About N-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride

N-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride (PubChem CID 134821643) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is N-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride
PubChem CID134821643
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC NameN-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC1C[C@@H]2C=C[C@H]1C2.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-3-15(4-2)9-13(16)14-12-8-10-5-6-11(12)7-10;/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,14,16);1H/t10-,11+,12?;/m1./s1
InChIKeyKIGJAUXSQIEGAA-WCGHQRNMSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride?
The IUPAC name of N-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride (CID 134821643) is N-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride is CCN(CC)CC(=O)NC1C[C@@H]2C=C[C@H]1C2.Cl.
What is the InChIKey of N-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride?
The InChIKey is KIGJAUXSQIEGAA-WCGHQRNMSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-3-15(4-2)9-13(16)14-12-8-10-5-6-11(12)7-10;/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,14,16);1H/t10-,11+,12?;/m1./s1.
What are the key properties of N-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride?
N-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-(diethylamino)acetamide;hydrochloride is sourced from PubChem (CID 134821643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).