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

C11H21N3O2 — CID 100647343

IUPAC(2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
SMILESCCOC[C@H](NCc1noc(C)n1)C(C)C
InChIInChI=1S/C11H21N3O2/c1-5-15-7-10(8(2)3)12-6-11-13-9(4)16-14-11/h8,10,12H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyBVQMQQVNAFMNEX-JTQLQIEISA-N
MW227.31 g/mol
LogP1.53
Rot. Bonds7

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

(2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine (PubChem CID 100647343) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
PubChem CID100647343
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
SMILESCCOC[C@H](NCc1noc(C)n1)C(C)C
InChIInChI=1S/C11H21N3O2/c1-5-15-7-10(8(2)3)12-6-11-13-9(4)16-14-11/h8,10,12H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyBVQMQQVNAFMNEX-JTQLQIEISA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine with MolForge

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Related Compounds

4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol
CID 106159720
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103913111
1-ethoxy-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 103271203
5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine
CID 106391800
2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 75504570
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 107911783
4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol
CID 107911467
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103912882
1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106392043
(2R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95282283
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide
CID 107911409

Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine?
The IUPAC name of (2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine (CID 100647343) is (2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine?
The canonical SMILES for (2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine is CCOC[C@H](NCc1noc(C)n1)C(C)C.
What is the InChIKey of (2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine?
The InChIKey is BVQMQQVNAFMNEX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-15-7-10(8(2)3)12-6-11-13-9(4)16-14-11/h8,10,12H,5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of (2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine?
(2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 100647343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).