2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride

C6H12ClN3O — CID 86776898

IUPAC2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride
SMILESCC(C)C(N)c1ncon1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-4(2)5(7)6-8-3-10-9-6;/h3-5H,7H2,1-2H3;1H
InChIKeyLORFBOQFXAPQNJ-UHFFFAOYSA-N
MW177.64 g/mol
LogP1.15
Rot. Bonds2

About 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride

2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride (PubChem CID 86776898) has the molecular formula C6H12ClN3O and a molecular weight of 177.64 g/mol. Its IUPAC name is 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride
PubChem CID86776898
Molecular FormulaC6H12ClN3O
Molecular Weight177.64 g/mol
Exact Mass177.07
IUPAC Name2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride
SMILESCC(C)C(N)c1ncon1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-4(2)5(7)6-8-3-10-9-6;/h3-5H,7H2,1-2H3;1H
InChIKeyLORFBOQFXAPQNJ-UHFFFAOYSA-N
XLogP1.15
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.64
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride (CID 86776898) is 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride is CC(C)C(N)c1ncon1.Cl.
What is the InChIKey of 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is LORFBOQFXAPQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.ClH/c1-4(2)5(7)6-8-3-10-9-6;/h3-5H,7H2,1-2H3;1H.
What are the key properties of 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride?
2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 177.64 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 86776898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).