2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine

C11H19N3O — CID 65390303

IUPAC2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESNCCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C11H19N3O/c12-8-7-10-13-11(14-15-10)9-5-3-1-2-4-6-9/h9H,1-8,12H2
InChIKeyLQJPMWKQAJAPJZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.01
Rot. Bonds3

About 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine

2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 65390303) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID65390303
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESNCCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C11H19N3O/c12-8-7-10-13-11(14-15-10)9-5-3-1-2-4-6-9/h9H,1-8,12H2
InChIKeyLQJPMWKQAJAPJZ-UHFFFAOYSA-N
XLogP2.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
CID 65390099
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 64673214
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65389519

Frequently Asked Questions

What is the IUPAC name of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 65390303) is 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine is NCCc1nc(C2CCCCCC2)no1.
What is the InChIKey of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is LQJPMWKQAJAPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-8-7-10-13-11(14-15-10)9-5-3-1-2-4-6-9/h9H,1-8,12H2.
What are the key properties of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine?
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 65390303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).