1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine

C12H23N3O2 — CID 86779489

IUPAC1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine
SMILESCCC(COC)NC(c1nc(C)no1)C(C)C
InChIInChI=1S/C12H23N3O2/c1-6-10(7-16-5)14-11(8(2)3)12-13-9(4)15-17-12/h8,10-11,14H,6-7H2,1-5H3
InChIKeyZYKBHYVKGYWELB-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.09
Rot. Bonds7

About 1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine

1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine (PubChem CID 86779489) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine
PubChem CID86779489
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine
SMILESCCC(COC)NC(c1nc(C)no1)C(C)C
InChIInChI=1S/C12H23N3O2/c1-6-10(7-16-5)14-11(8(2)3)12-13-9(4)15-17-12/h8,10-11,14H,6-7H2,1-5H3
InChIKeyZYKBHYVKGYWELB-UHFFFAOYSA-N
XLogP2.09
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine?
The IUPAC name of 1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine (CID 86779489) is 1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine is CCC(COC)NC(c1nc(C)no1)C(C)C.
What is the InChIKey of 1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine?
The InChIKey is ZYKBHYVKGYWELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-6-10(7-16-5)14-11(8(2)3)12-13-9(4)15-17-12/h8,10-11,14H,6-7H2,1-5H3.
What are the key properties of 1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine?
1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine has a molecular weight of 241.33 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine is sourced from PubChem (CID 86779489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).