N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine

C9H17N3O — CID 106394732

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCc1ncno1
InChIInChI=1S/C9H17N3O/c1-2-3-4-6-10-7-5-9-11-8-12-13-9/h8,10H,2-7H2,1H3
InChIKeyYOWLQBDAMQUEBA-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.39
Rot. Bonds7

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

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine (PubChem CID 106394732) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine
PubChem CID106394732
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCc1ncno1
InChIInChI=1S/C9H17N3O/c1-2-3-4-6-10-7-5-9-11-8-12-13-9/h8,10H,2-7H2,1H3
InChIKeyYOWLQBDAMQUEBA-UHFFFAOYSA-N
XLogP1.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine (CID 106394732) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine is CCCCCNCCc1ncno1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine?
The InChIKey is YOWLQBDAMQUEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-3-4-6-10-7-5-9-11-8-12-13-9/h8,10H,2-7H2,1H3.
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.39, 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-5-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 106394732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).