N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine

C14H27N3O — CID 65428734

IUPACN-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCCCCCCc1nnc(C(C)NCC)o1
InChIInChI=1S/C14H27N3O/c1-4-6-7-8-9-10-11-13-16-17-14(18-13)12(3)15-5-2/h12,15H,4-11H2,1-3H3
InChIKeyZYIOOVUJYSHSIA-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.64
Rot. Bonds10

About N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine

N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 65428734) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID65428734
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCCCCCCc1nnc(C(C)NCC)o1
InChIInChI=1S/C14H27N3O/c1-4-6-7-8-9-10-11-13-16-17-14(18-13)12(3)15-5-2/h12,15H,4-11H2,1-3H3
InChIKeyZYIOOVUJYSHSIA-UHFFFAOYSA-N
XLogP3.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine 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

N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62162889
2-(1-chloroethyl)-5-octyl-1,3,4-oxadiazole
CID 65448540
1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine
CID 65427378
1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine
CID 62859102
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62164103
N-[(5-nonyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 65427375
N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 103212008
3-(5-pentyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138927
N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62163225
(5-octyl-1,3,4-oxadiazol-2-yl)methanamine
CID 65428930
2-chloro-5-heptyl-1,3,4-oxadiazole
CID 114770895
2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
CID 62162723

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 65428734) is N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine is CCCCCCCCc1nnc(C(C)NCC)o1.
What is the InChIKey of N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is ZYIOOVUJYSHSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-6-7-8-9-10-11-13-16-17-14(18-13)12(3)15-5-2/h12,15H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine?
N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 65428734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).