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

C8H16ClN3O — CID 52983672

IUPAC2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
SMILESCC(C)(C)c1nc(CCN)no1.Cl
InChIInChI=1S/C8H15N3O.ClH/c1-8(2,3)7-10-6(4-5-9)11-12-7;/h4-5,9H2,1-3H3;1H
InChIKeySRBWVDKPYWDGQU-UHFFFAOYSA-N
MW205.69 g/mol
LogP1.29
Rot. Bonds2

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

2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride (PubChem CID 52983672) has the molecular formula C8H16ClN3O and a molecular weight of 205.69 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
PubChem CID52983672
Molecular FormulaC8H16ClN3O
Molecular Weight205.69 g/mol
Exact Mass205.10
IUPAC Name2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
SMILESCC(C)(C)c1nc(CCN)no1.Cl
InChIInChI=1S/C8H15N3O.ClH/c1-8(2,3)7-10-6(4-5-9)11-12-7;/h4-5,9H2,1-3H3;1H
InChIKeySRBWVDKPYWDGQU-UHFFFAOYSA-N
XLogP1.29
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride (CID 52983672) is 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride is CC(C)(C)c1nc(CCN)no1.Cl.
What is the InChIKey of 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
The InChIKey is SRBWVDKPYWDGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.ClH/c1-8(2,3)7-10-6(4-5-9)11-12-7;/h4-5,9H2,1-3H3;1H.
What are the key properties of 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 52983672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).