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

C11H21N3O2 — CID 115889167

IUPAC1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
SMILESCOCC(NCCc1nc(C)no1)C(C)C
InChIInChI=1S/C11H21N3O2/c1-8(2)10(7-15-4)12-6-5-11-13-9(3)14-16-11/h8,10,12H,5-7H2,1-4H3
InChIKeyWEDPDNWURJOCDM-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.18
Rot. Bonds7

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

1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine (PubChem CID 115889167) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
PubChem CID115889167
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
SMILESCOCC(NCCc1nc(C)no1)C(C)C
InChIInChI=1S/C11H21N3O2/c1-8(2)10(7-15-4)12-6-5-11-13-9(3)14-16-11/h8,10,12H,5-7H2,1-4H3
InChIKeyWEDPDNWURJOCDM-UHFFFAOYSA-N
XLogP1.18
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine
CID 115889350
N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659786
3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347670
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile
CID 106417030
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
2,2-dimethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106414051
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103901506
1-(4-ethoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901530
2-(aminomethyl)-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 107269486
1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901575
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106416371

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine (CID 115889167) is 1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine is COCC(NCCc1nc(C)no1)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine?
The InChIKey is WEDPDNWURJOCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)10(7-15-4)12-6-5-11-13-9(3)14-16-11/h8,10,12H,5-7H2,1-4H3.
What are the key properties of 1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine?
1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115889167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).