1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride

C8H16ClN3O — CID 56811860

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCC(N)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C8H15N3O.ClH/c1-5(9)6-10-7(11-12-6)8(2,3)4;/h5H,9H2,1-4H3;1H
InChIKeyHFVKQKKEACYYLQ-UHFFFAOYSA-N
MW205.69 g/mol
LogP1.81
Rot. Bonds1

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (PubChem CID 56811860) has the molecular formula C8H16ClN3O and a molecular weight of 205.69 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
PubChem CID56811860
Molecular FormulaC8H16ClN3O
Molecular Weight205.69 g/mol
Exact Mass205.10
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCC(N)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C8H15N3O.ClH/c1-5(9)6-10-7(11-12-6)8(2,3)4;/h5H,9H2,1-4H3;1H
InChIKeyHFVKQKKEACYYLQ-UHFFFAOYSA-N
XLogP1.81
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (CID 56811860) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is CC(N)c1nc(C(C)(C)C)no1.Cl.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is HFVKQKKEACYYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.ClH/c1-5(9)6-10-7(11-12-6)8(2,3)4;/h5H,9H2,1-4H3;1H.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 56811860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).