2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine

C13H25N3O — CID 65426417

IUPAC2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCCCCCCCc1nnc(CCN)o1
InChIInChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-12-15-16-13(17-12)10-11-14/h2-11,14H2,1H3
InChIKeyRXPRCUZPCHMOJA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.86
Rot. Bonds10

About 2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine

2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 65426417) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID65426417
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCCCCCCCc1nnc(CCN)o1
InChIInChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-12-15-16-13(17-12)10-11-14/h2-11,14H2,1H3
InChIKeyRXPRCUZPCHMOJA-UHFFFAOYSA-N
XLogP2.86
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-octyl-1,3,4-oxadiazol-2-yl)methanamine
CID 65428930
2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
CID 65448728
2-(3-bromopropyl)-5-tridecyl-1,3,4-oxadiazole
CID 86073528
2-chloro-5-heptyl-1,3,4-oxadiazole
CID 114770895
2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
CID 62162723
N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62137386
N-[(5-nonyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 65427375
ethyl 5-undecyl-1,3,4-oxadiazole-2-carboxylate
CID 115960778
ethyl 5-octyl-1,3,4-oxadiazole-2-carboxylate
CID 112619344
2-(1-chloroethyl)-5-octyl-1,3,4-oxadiazole
CID 65448540
3-(5-pentyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138927
2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071124

Frequently Asked Questions

What is the IUPAC name of 2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 65426417) is 2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine is CCCCCCCCCc1nnc(CCN)o1.
What is the InChIKey of 2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is RXPRCUZPCHMOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-12-15-16-13(17-12)10-11-14/h2-11,14H2,1H3.
What are the key properties of 2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine?
2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 65426417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).