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

C12H24N4O — CID 107819595

IUPAC5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
SMILESCCCCC(CC)CNc1nnc(C(C)N)o1
InChIInChI=1S/C12H24N4O/c1-4-6-7-10(5-2)8-14-12-16-15-11(17-12)9(3)13/h9-10H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyHBKNYGHNBDEIDZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.72
Rot. Bonds8

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

5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine (PubChem CID 107819595) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
PubChem CID107819595
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
SMILESCCCCC(CC)CNc1nnc(C(C)N)o1
InChIInChI=1S/C12H24N4O/c1-4-6-7-10(5-2)8-14-12-16-15-11(17-12)9(3)13/h9-10H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyHBKNYGHNBDEIDZ-UHFFFAOYSA-N
XLogP2.72
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1-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-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960512
5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106966116
5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819587
5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106962258
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-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961130
5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 114004538
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664
N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 107819590
(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 94344079
5-(1-aminoethyl)-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961320

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine (CID 107819595) is 5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine is CCCCC(CC)CNc1nnc(C(C)N)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HBKNYGHNBDEIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-4-6-7-10(5-2)8-14-12-16-15-11(17-12)9(3)13/h9-10H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 240.35 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 107819595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).