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

C8H15N3O — CID 106395964

IUPAC2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCc1ncon1
InChIInChI=1S/C8H15N3O/c1-7(2)5-9-4-3-8-10-6-12-11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyYCLDZQDBNPMRCY-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.86
Rot. Bonds5

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

2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (PubChem CID 106395964) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
PubChem CID106395964
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCc1ncon1
InChIInChI=1S/C8H15N3O/c1-7(2)5-9-4-3-8-10-6-12-11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyYCLDZQDBNPMRCY-UHFFFAOYSA-N
XLogP0.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine
CID 106396000
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106400868
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]dodecan-1-amine
CID 106400725
1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
CID 106400913
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-yn-2-amine
CID 106400759
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-en-2-amine
CID 106400522
N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106401056
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396072
N-[[4-(3-methylbutoxy)phenyl]methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396362
methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate
CID 106401045
1-(4-methylsulfonylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
CID 106401084

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (CID 106395964) is 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine is CC(C)CNCCc1ncon1.
What is the InChIKey of 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The InChIKey is YCLDZQDBNPMRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(2)5-9-4-3-8-10-6-12-11-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106395964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).