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

C6H11N3O — CID 61317701

IUPAC2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCC(C)C(N)c1ncon1
InChIInChI=1S/C6H11N3O/c1-4(2)5(7)6-8-3-10-9-6/h3-5H,7H2,1-2H3
InChIKeyCVIXBBCQZLBQKL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.73
Rot. Bonds2

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

2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine (PubChem CID 61317701) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine
PubChem CID61317701
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCC(C)C(N)c1ncon1
InChIInChI=1S/C6H11N3O/c1-4(2)5(7)6-8-3-10-9-6/h3-5H,7H2,1-2H3
InChIKeyCVIXBBCQZLBQKL-UHFFFAOYSA-N
XLogP0.73
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.73
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?
The IUPAC name of 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine (CID 61317701) is 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine is CC(C)C(N)c1ncon1.
What is the InChIKey of 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine?
The InChIKey is CVIXBBCQZLBQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4(2)5(7)6-8-3-10-9-6/h3-5H,7H2,1-2H3.
What are the key properties of 2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine?
2-methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine has a molecular weight of 141.17 g/mol, XLogP of 0.73, 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 is sourced from PubChem (CID 61317701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).