5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine

C12H24N4O — CID 107819587

IUPAC5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
SMILESCCCCC(CC)CNc1nnc(CCN)o1
InChIInChI=1S/C12H24N4O/c1-3-5-6-10(4-2)9-14-12-16-15-11(17-12)7-8-13/h10H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyAGOJSZLGPCCZDC-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.20
Rot. Bonds9

About 5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine (PubChem CID 107819587) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
PubChem CID107819587
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
SMILESCCCCC(CC)CNc1nnc(CCN)o1
InChIInChI=1S/C12H24N4O/c1-3-5-6-10(4-2)9-14-12-16-15-11(17-12)7-8-13/h10H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyAGOJSZLGPCCZDC-UHFFFAOYSA-N
XLogP2.20
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-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

5-(2-chloroethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819573
5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819593
5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819595
N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 107819590
5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960441
5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966297
2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65426417
5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959660
5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968856
5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959682
2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62070943
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide
CID 114176109

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine (CID 107819587) is 5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine is CCCCC(CC)CNc1nnc(CCN)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is AGOJSZLGPCCZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-3-5-6-10(4-2)9-14-12-16-15-11(17-12)7-8-13/h10H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 240.35 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 107819587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).