2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride

C14H27ClN2O — CID 24832201

IUPAC2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride
SMILESCCN(CC)CC(=O)N[C@]1(C)C[C@H]2CC[C@@H]1C2.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-4-16(5-2)10-13(17)15-14(3)9-11-6-7-12(14)8-11;/h11-12H,4-10H2,1-3H3,(H,15,17);1H/t11-,12+,14+;/m0./s1
InChIKeyIPGSVDFNJKKPFV-UHQOWUJDSA-N
MW274.84 g/mol
LogP2.44
Rot. Bonds5

About 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride

2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride (PubChem CID 24832201) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride
PubChem CID24832201
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride
SMILESCCN(CC)CC(=O)N[C@]1(C)C[C@H]2CC[C@@H]1C2.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-4-16(5-2)10-13(17)15-14(3)9-11-6-7-12(14)8-11;/h11-12H,4-10H2,1-3H3,(H,15,17);1H/t11-,12+,14+;/m0./s1
InChIKeyIPGSVDFNJKKPFV-UHQOWUJDSA-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 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride (CID 24832201) is 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride is CCN(CC)CC(=O)N[C@]1(C)C[C@H]2CC[C@@H]1C2.Cl.
What is the InChIKey of 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride?
The InChIKey is IPGSVDFNJKKPFV-UHQOWUJDSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-4-16(5-2)10-13(17)15-14(3)9-11-6-7-12(14)8-11;/h11-12H,4-10H2,1-3H3,(H,15,17);1H/t11-,12+,14+;/m0./s1.
What are the key properties of 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride?
2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]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 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride is sourced from PubChem (CID 24832201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).