1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

C13H21N3O — CID 55039608

IUPAC1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(C2CC3CCC2C3)o1
InChIInChI=1S/C13H21N3O/c1-3-14-8(2)12-15-16-13(17-12)11-7-9-4-5-10(11)6-9/h8-11,14H,3-7H2,1-2H3
InChIKeyNBVACYUGPMAWDC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.64
Rot. Bonds4

About 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (PubChem CID 55039608) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
PubChem CID55039608
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(C2CC3CCC2C3)o1
InChIInChI=1S/C13H21N3O/c1-3-14-8(2)12-15-16-13(17-12)11-7-9-4-5-10(11)6-9/h8-11,14H,3-7H2,1-2H3
InChIKeyNBVACYUGPMAWDC-UHFFFAOYSA-N
XLogP2.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 81932310
N-ethyl-1-[5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81932381
N-[[5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 81933267
N-ethyl-1-[5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 81933284
N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 104622609
2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 104622611
N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 104622614
N-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 104622615
N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 104622616
N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 104622623
N-ethyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 104622624
N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55039117

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (CID 55039608) is 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is CCNC(C)c1nnc(C2CC3CCC2C3)o1.
What is the InChIKey of 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The InChIKey is NBVACYUGPMAWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-14-8(2)12-15-16-13(17-12)11-7-9-4-5-10(11)6-9/h8-11,14H,3-7H2,1-2H3.
What are the key properties of 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 55039608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).