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

C10H17N3O — CID 106395478

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCc1ncon1
InChIInChI=1S/C10H17N3O/c1-3-4-5-9(2)11-7-6-10-12-8-14-13-10/h3,8-9,11H,1,4-7H2,2H3
InChIKeyJZVLRTVYGNSXGO-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.56
Rot. Bonds7

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

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine (PubChem CID 106395478) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine
PubChem CID106395478
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCc1ncon1
InChIInChI=1S/C10H17N3O/c1-3-4-5-9(2)11-7-6-10-12-8-14-13-10/h3,8-9,11H,1,4-7H2,2H3
InChIKeyJZVLRTVYGNSXGO-UHFFFAOYSA-N
XLogP1.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine (CID 106395478) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine is C=CCCC(C)NCCc1ncon1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine?
The InChIKey is JZVLRTVYGNSXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-5-9(2)11-7-6-10-12-8-14-13-10/h3,8-9,11H,1,4-7H2,2H3.
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine has a molecular weight of 195.27 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine is sourced from PubChem (CID 106395478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).