2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine

C9H17N3O — CID 115430512

IUPAC2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC(CC)(CN)c1nc(C)no1
InChIInChI=1S/C9H17N3O/c1-4-9(5-2,6-10)8-11-7(3)12-13-8/h4-6,10H2,1-3H3
InChIKeyBKJXODJBDZKYKG-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.39
Rot. Bonds4

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

2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 115430512) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID115430512
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC(CC)(CN)c1nc(C)no1
InChIInChI=1S/C9H17N3O/c1-4-9(5-2,6-10)8-11-7(3)12-13-8/h4-6,10H2,1-3H3
InChIKeyBKJXODJBDZKYKG-UHFFFAOYSA-N
XLogP1.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
CID 115430515
2-ethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430638
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
CID 113308663
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 107925071
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430523
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
CID 115430500
2-ethyl-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430648
3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 130520344
2-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 113308673
2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 137012523
2-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 113308657
2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 113308674

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 115430512) is 2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine is CCC(CC)(CN)c1nc(C)no1.
What is the InChIKey of 2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is BKJXODJBDZKYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-9(5-2,6-10)8-11-7(3)12-13-8/h4-6,10H2,1-3H3.
What are the key properties of 2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 115430512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).