N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

C11H19N3O — CID 62342162

IUPACN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCNCc1noc(C2CCCCC2)n1
InChIInChI=1S/C11H19N3O/c1-2-12-8-10-13-11(15-14-10)9-6-4-3-5-7-9/h9,12H,2-8H2,1H3
InChIKeyIRVOZSNFWVEUTN-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.23
Rot. Bonds4

About N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 62342162) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID62342162
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCNCc1noc(C2CCCCC2)n1
InChIInChI=1S/C11H19N3O/c1-2-12-8-10-13-11(15-14-10)9-6-4-3-5-7-9/h9,12H,2-8H2,1H3
InChIKeyIRVOZSNFWVEUTN-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 75436511
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
3-(chloromethyl)-5-cyclohexyl-1,2,4-oxadiazole;N-methylformamide
CID 145398456
N-[[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 107127585
7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol
CID 123898412
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
trans-methyl (1R,2R)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate
CID 99716354
N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 62588537
N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65159675
[3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol
CID 84596345
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
CID 122568554

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 62342162) is N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is CCNCc1noc(C2CCCCC2)n1.
What is the InChIKey of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is IRVOZSNFWVEUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-12-8-10-13-11(15-14-10)9-6-4-3-5-7-9/h9,12H,2-8H2,1H3.
What are the key properties of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 62342162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).