N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine

C14H21N3O — CID 79273730

IUPACN-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
SMILESC#CCNCc1nc(C2CCCC(CC)C2)no1
InChIInChI=1S/C14H21N3O/c1-3-8-15-10-13-16-14(17-18-13)12-7-5-6-11(4-2)9-12/h1,11-12,15H,4-10H2,2H3
InChIKeyGPLCHJNFINXXEL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds5

About N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine

N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine (PubChem CID 79273730) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
PubChem CID79273730
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
SMILESC#CCNCc1nc(C2CCCC(CC)C2)no1
InChIInChI=1S/C14H21N3O/c1-3-8-15-10-13-16-14(17-18-13)12-7-5-6-11(4-2)9-12/h1,11-12,15H,4-10H2,2H3
InChIKeyGPLCHJNFINXXEL-UHFFFAOYSA-N
XLogP2.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-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

N-[(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
CID 80602418
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 65401010
N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79273260
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65401412
N-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65415303
1-cyclopropyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65414668
1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65414269
3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 65402843
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901665
2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65403043
N-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65401617
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine?
The IUPAC name of N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine (CID 79273730) is N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine is C#CCNCc1nc(C2CCCC(CC)C2)no1.
What is the InChIKey of N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine?
The InChIKey is GPLCHJNFINXXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-8-15-10-13-16-14(17-18-13)12-7-5-6-11(4-2)9-12/h1,11-12,15H,4-10H2,2H3.
What are the key properties of N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine?
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine is sourced from PubChem (CID 79273730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).