N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine

C12H21N3O — CID 104583094

IUPACN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCc1noc(CC)n1
InChIInChI=1S/C12H21N3O/c1-4-6-7-10(3)13-9-8-11-14-12(5-2)16-15-11/h4,10,13H,1,5-9H2,2-3H3
InChIKeyINBOTFKDYSWQPR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds8

About N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine

N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine (PubChem CID 104583094) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine
PubChem CID104583094
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCc1noc(CC)n1
InChIInChI=1S/C12H21N3O/c1-4-6-7-10(3)13-9-8-11-14-12(5-2)16-15-11/h4,10,13H,1,5-9H2,2-3H3
InChIKeyINBOTFKDYSWQPR-UHFFFAOYSA-N
XLogP2.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[5-(2-Fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]hept-6-en-1-amine
CID 155064365
1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120387545
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine
CID 13064318
(2S)-N-tert-butyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine
CID 59777446
(2R)-N-tert-butyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine
CID 59777451
(2R)-N-ethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine
CID 88977376
(2R)-N-ethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 88977390
(2S)-N-ethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine
CID 88977431
(2S)-N-ethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 88977480
1-(5-Methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine
CID 91017373
3-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]hex-5-en-1-amine
CID 134232479
3-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hex-5-en-1-amine
CID 134232604

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine?
The IUPAC name of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine (CID 104583094) is N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine.
What is the SMILES notation for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine?
The canonical SMILES for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine is C=CCCC(C)NCCc1noc(CC)n1.
What is the InChIKey of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine?
The InChIKey is INBOTFKDYSWQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-7-10(3)13-9-8-11-14-12(5-2)16-15-11/h4,10,13H,1,5-9H2,2-3H3.
What are the key properties of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine?
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine is sourced from PubChem (CID 104583094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).