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

C13H25N3O2 — CID 63350659

IUPACN-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCCOCc1noc(CC(NCC)C(C)C)n1
InChIInChI=1S/C13H25N3O2/c1-5-7-17-9-12-15-13(18-16-12)8-11(10(3)4)14-6-2/h10-11,14H,5-9H2,1-4H3
InChIKeyULTZNXOWLYSRJW-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.17
Rot. Bonds9

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

N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63350659) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63350659
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCCOCc1noc(CC(NCC)C(C)C)n1
InChIInChI=1S/C13H25N3O2/c1-5-7-17-9-12-15-13(18-16-12)8-11(10(3)4)14-6-2/h10-11,14H,5-9H2,1-4H3
InChIKeyULTZNXOWLYSRJW-UHFFFAOYSA-N
XLogP2.17
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
CID 79086275
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 63350605
4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 113496840
N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63347693
N-ethyl-3-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 82007807
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 79086274
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
CID 116733616
N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine
CID 62336676
3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347670
N-ethyl-3,3-dimethyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103476847
N-ethyl-4-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103476864
3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350881

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63350659) is N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCCOCc1noc(CC(NCC)C(C)C)n1.
What is the InChIKey of N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is ULTZNXOWLYSRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-7-17-9-12-15-13(18-16-12)8-11(10(3)4)14-6-2/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63350659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).